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Chemistry

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Also known as: 2212020-52-3, Ly3502970, Chembl4446782, Ly-3502970, 3-[(1s,2s)-1-[5-[(4s)-2,2-dimethyloxan-4-yl]-2-[(4s)-2-(4-fluoro-3,5-dimethylphenyl)-3-[3-(4-fluoro-1-methylindazol-5-yl)-2-oxoimidazol-1-yl]-4-methyl-6,7-dihydro-4h-pyrazolo[4,3-c]pyridine-5-carbonyl]indol-1-yl]-2-methylcyclopropyl]-4h-1,2,4-oxadiazol-5-one, 3-[(1s,2s)-1-(5-[(4s)-2,2-dimethyloxan-4-yl]-2-{(4s)-2-(4-fluoro-3,5-dimethylphenyl)-3-[3-(4-fluoro-1-methyl-1h-indazol-5-yl)-2-oxo-2,3-dihydro-1h-imidazol-1-yl]-4-methyl-2,4,6,7-tetrahydro-5h-pyrazolo[4,3-c]pyridine-5-carbonyl}-1h-indol-1-yl)-2-methylcyclopropyl]-1,2,4-oxadiazol-5(4h)-one
Molecular Formula
C48H48F2N10O5
Molecular Weight
883.0  g/mol
InChI Key
USUWIEBBBWHKNI-KHIFEHGGSA-N
FDA UNII
7ZW40D021M

Orforglipron Calcium Hydrate
1 2D Structure

Orforglipron Calcium Hydrate

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
3-[(1S,2S)-1-[5-[(4S)-2,2-dimethyloxan-4-yl]-2-[(4S)-2-(4-fluoro-3,5-dimethylphenyl)-3-[3-(4-fluoro-1-methylindazol-5-yl)-2-oxoimidazol-1-yl]-4-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carbonyl]indol-1-yl]-2-methylcyclopropyl]-4H-1,2,4-oxadiazol-5-one
2.1.2 InChI
InChI=1S/C48H48F2N10O5/c1-25-18-32(19-26(2)40(25)49)60-42(58-16-15-57(46(58)63)37-11-10-36-33(41(37)50)24-51-55(36)7)39-28(4)56(14-12-34(39)53-60)43(61)38-21-31-20-29(30-13-17-64-47(5,6)23-30)8-9-35(31)59(38)48(22-27(48)3)44-52-45(62)65-54-44/h8-11,15-16,18-21,24,27-28,30H,12-14,17,22-23H2,1-7H3,(H,52,54,62)/t27-,28-,30-,48-/m0/s1
2.1.3 InChI Key
USUWIEBBBWHKNI-KHIFEHGGSA-N
2.1.4 Canonical SMILES
CC1CC1(C2=NOC(=O)N2)N3C4=C(C=C(C=C4)C5CCOC(C5)(C)C)C=C3C(=O)N6CCC7=NN(C(=C7C6C)N8C=CN(C8=O)C9=C(C1=C(C=C9)N(N=C1)C)F)C1=CC(=C(C(=C1)C)F)C
2.1.5 Isomeric SMILES
C[C@H]1C[C@]1(C2=NOC(=O)N2)N3C4=C(C=C(C=C4)[C@H]5CCOC(C5)(C)C)C=C3C(=O)N6CCC7=NN(C(=C7[C@@H]6C)N8C=CN(C8=O)C9=C(C1=C(C=C9)N(N=C1)C)F)C1=CC(=C(C(=C1)C)F)C
2.2 Other Identifiers
2.2.1 UNII
7ZW40D021M
2.3 Synonyms
2.3.1 MeSH Synonyms

1. Ly3502970

2.3.2 Depositor-Supplied Synonyms

1. 2212020-52-3

2. Ly3502970

3. Chembl4446782

4. Ly-3502970

5. 3-[(1s,2s)-1-[5-[(4s)-2,2-dimethyloxan-4-yl]-2-[(4s)-2-(4-fluoro-3,5-dimethylphenyl)-3-[3-(4-fluoro-1-methylindazol-5-yl)-2-oxoimidazol-1-yl]-4-methyl-6,7-dihydro-4h-pyrazolo[4,3-c]pyridine-5-carbonyl]indol-1-yl]-2-methylcyclopropyl]-4h-1,2,4-oxadiazol-5-one

6. 3-[(1s,2s)-1-(5-[(4s)-2,2-dimethyloxan-4-yl]-2-{(4s)-2-(4-fluoro-3,5-dimethylphenyl)-3-[3-(4-fluoro-1-methyl-1h-indazol-5-yl)-2-oxo-2,3-dihydro-1h-imidazol-1-yl]-4-methyl-2,4,6,7-tetrahydro-5h-pyrazolo[4,3-c]pyridine-5-carbonyl}-1h-indol-1-yl)-2-methylcyclopropyl]-1,2,4-oxadiazol-5(4h)-one

7. V6g

8. Orforglipron [inn]

9. Orforglipron [usan]

10. Ly3502970 (orforglipron)

11. Owl833

12. Schembl21175277

13. Gtpl12175

14. 7zw40d021m

15. Ex-a7751

16. Bdbm50514045

17. Akos040733262

18. Glp-1 Receptor Agonist 1;orforglipron

19. Ms-31635

20. Hy-112185

21. Cs-0043632

22. 1,2,4-oxadiazol-5(2h)-one, 3-[(1s,2s)-1-[2-[[(4s)-2-(4-fluoro-3,5-dimethylphenyl)-3-[3-(4-fluoro-1-methyl-1h-indazol-5-yl)-2,3-dihydro-2-oxo-1h-imidazol-1-yl]-2,4,6,7-tetrahydro-4-methyl-5h-pyrazolo[4,3-c]pyridin-5-yl]carbonyl]-5-[(4s)-tetrahydro-2,2-dimethyl-2h-pyran-4-yl]-1h-indol-1-yl]-2-methylcyclopropyl]-

23. 3-[(1s,2s)-1-({2-(4-fluoro-3,5-dimethylphenyl)-3-({3-[3-(4-fluoro-1-methyl-1h-indazol-5-yl)-2-oxo-2,3-dihydro-1h-imidazol-1-yl]-4-methyl-2,4,6,7-tetrahydro-5h-pyrazolo[4,3-c]pyridin-5-yl}carbonyl)-5-[(4s)-2,2-dimethyloxan-4-yl]-1h-indol-1-yl}-2-methylcyclopropyl]-5-oxo-1,2,4-oxadiazol-4(5h)-ide

2.4 Create Date
2019-01-28
3 Chemical and Physical Properties
Molecular Weight 883.0 g/mol
Molecular Formula C48H48F2N10O5
XLogP36.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count10
Rotatable Bond Count7
Exact Mass g/mol
Monoisotopic Mass g/mol
Topological Polar Surface Area144
Heavy Atom Count65
Formal Charge0
Complexity1950
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

Listed Suppliers

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euroPLX 86 Munich
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Virtual BoothChongqing Sintaho Pharma: A trusted partner globally for chemosynthetic APIs.

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Orforglipron Calcium Hydrate

About the Company : Sintaho Pharmaceutical Co., Ltd., located in Chongqing, China, contributes to being the most dependable partner for global pharmaceutical companies. Sintaho specializes in chemosyn...

Sintaho Pharmaceutical Co., Ltd., located in Chongqing, China, contributes to being the most dependable partner for global pharmaceutical companies. Sintaho specializes in chemosynthetic APIs (application contains oncology, nervous system, and metabolic diseases and etc.,) with a product portfolio ranging from small molecule APIs, ADC compounds (linkers and payloads) to polypeptides, also provides CDMO services of cytotoxic and OEB4/5 grade APIs.
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Orforglipron

About the Company : Hefei Home Sunshine Pharmaceutical Technology Co., Ltd.is a high-tech enterprise, which is an integration of R & D, producing and custom synthesis. The products quality is assured ...

Hefei Home Sunshine Pharmaceutical Technology Co., Ltd.is a high-tech enterprise, which is an integration of R & D, producing and custom synthesis. The products quality is assured because of our continuously-optimizing management and technology innovation, complete QA system, advanced testing methods and equipments. We have won the trust of a wide range of customers/partners in the industry. Our Products include active pharmaceutical ingredients (API), pharmaceutical and agrochemical intermediates and chiral compounds.
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Orforglipron Calcium Hydrate

About the Company : Founded in 2003, Hyderabad-based MSN Labs is one of the fastest-growing research-based pharmaceutical company in India. Boasting a diverse product portfolio, with multiple products...

Founded in 2003, Hyderabad-based MSN Labs is one of the fastest-growing research-based pharmaceutical company in India. Boasting a diverse product portfolio, with multiple products in the market and in the pipeline, MSN has 6 API (including Oncology) and one finished dosage facilities (one more for Oncology is being built) and an integrated R&D Center for Contract Research And Manufacturing Services (CRAMS) located in Hyderabad. MSN has won the trust of more than 250 customers across 65 countries around the globe covering the US, Europe, Latin America, Middle-East, Asia Pacific, Africa and CIS markets. Our product basket offers 100 APIs
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Orforglipron

About the Company : Nantong Quanyi Biotechnology Co., Ltd. is a technology-driven enterprise that seamlessly integrates research and development, production, and sales. The company has forged enduring...

Nantong Quanyi Biotechnology Co., Ltd. is a technology-driven enterprise that seamlessly integrates research and development, production, and sales. The company has forged enduring partnerships with renowned pharmaceutical and chemical firms, scientific research institutions, and university laboratories both domestically and internationally. Together, they are dedicated to tailored chemical synthesis, the creation of high-value pharmaceutical intermediates, and the research and development of new drugs. Nantong Quanyi Biotechnology is equipped to offer customized production services ranging from gram-level and kilogram-level quantities.
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