Octanex Labs

CAS 571188-82-4

Chemistry, 3 End Use API, 43 Related Intermediates

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Also known as: 571188-82-4, 4-[6-(6-bromo-8-cyclopentyl-5-methyl-7-oxo-7,8-dihydro-pyrido[2,3-d]pyrimidin-2-ylamino)-pyridin-3-yl]-piperazine-1-carboxylic acid tert-butyl ester, Tert-butyl 4-[6-[(6-bromo-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]pyridin-3-yl]piperazine-1-carboxylate, Tert-butyl 4-{6-[(6-bromo-8-cyclopentyl-5-methyl-7-oxo-7,8-dihydropyrido[2,3-d]pyrimidin-2-yl)amino]pyridin-3-yl}piperazine-1-carboxylate, Cid 11157536, Schembl2074567

Molecular Formula

C₂₇H₃₄BrN₇O₃

Molecular Weight

584.5 g/mol

InChI Key

UTSOLZWQDXJQRH-UHFFFAOYSA-N

1 2D Structure

CAS 571188-82-4

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

tert-butyl 4-[6-[(6-bromo-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]pyridin-3-yl]piperazine-1-carboxylate

2.1.2 InChI

InChI=1S/C27H34BrN7O3/c1-17-20-16-30-25(32-23(20)35(24(36)22(17)28)18-7-5-6-8-18)31-21-10-9-19(15-29-21)33-11-13-34(14-12-33)26(37)38-27(2,3)4/h9-10,15-16,18H,5-8,11-14H2,1-4H3,(H,29,30,31,32)

2.1.3 InChI Key

UTSOLZWQDXJQRH-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC1=C(C(=O)N(C2=NC(=NC=C12)NC3=NC=C(C=C3)N4CCN(CC4)C(=O)OC(C)(C)C)C5CCCC5)Br

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 571188-82-4

2. 4-[6-(6-bromo-8-cyclopentyl-5-methyl-7-oxo-7,8-dihydro-pyrido[2,3-d]pyrimidin-2-ylamino)-pyridin-3-yl]-piperazine-1-carboxylic Acid Tert-butyl Ester

3. Tert-butyl 4-[6-[(6-bromo-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]pyridin-3-yl]piperazine-1-carboxylate

4. Tert-butyl 4-{6-[(6-bromo-8-cyclopentyl-5-methyl-7-oxo-7,8-dihydropyrido[2,3-d]pyrimidin-2-yl)amino]pyridin-3-yl}piperazine-1-carboxylate

5. Cid 11157536

6. Schembl2074567

7. Dtxsid20457133

8. Amy14884

9. Bcp11774

10. Cs-b0335

11. Wxa18882

12. Mfcd09834002

13. Zinc100052671

14. Ac-29046

15. Ds-18869

16. Ft-0697069

17. A869756

18. 1-piperazinecarboxylic Acid,4-[6-[(6-bromo-8-cyclopentyl-7,8-dihydro-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]-,1,1-dimethylethyl Ester

19. 4-(6-(6-bromo-8-cyclopentyl-5-methyl-7-oxo-7,8-dihydropyrido[2,3-d]pyrimidin-2-ylamino)pyridin-3-yl)piperazine-1-carboxylic Acid Tert-butyl Ester

20. 4-[6-(6-bromo-8-cyclopentyl-5-methyl-7-oxo-7,8-dihydro-pyrido[2,3-d]pyrimidin-2-ylamino)-pyridin-3-yl]-piperazine-carboxylic Acid Tert-butyl Ester

21. 4-[6-[(6-bromo-8-cyclopentyl-7,8-dihydro-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]-1-piperazinecarboxylic Acid 1,1-dimethylethyl Ester

22. 6-bromo-8-cyclopentyl-2-[[5-(4-boc-1-piperazinyl)-2-pyridyl]amino]-5-methylpyrido[2,3-d]pyrimidin-7(8h)-one

23. Tert-butyl 4-(6-((6-bromo-8-cyclopentyl-5-methyl-7-oxo-7,8-dihydropyrido[2,3-d]pyrimidin-2-yl)amino)pyridin-3-yl)piperazine-1-carbox Ylate

24. Tert-butyl4-(6-((6-bromo-8-cyclopentyl-5-methyl-7-oxo-7,8-dihydropyrido[2,3-d]pyrimidin-2-yl)amino)pyridin-3-yl)piperazine-1-carboxylate

2.3 Create Date

2006-10-26

3 Chemical and Physical Properties

Molecular Formula	C₂₇H₃₄BrN₇O₃
Molecular Weight	584.5 g/mol
XLogP3	4.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	6
Exact Mass	583.19065 g/mol
Monoisotopic Mass	583.19065 g/mol
Topological Polar Surface Area	104 Å²
Heavy Atom Count	38
Formal Charge	0
Complexity	911
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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5-bromo pyridin-2-amine

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CAS Number

CAS-1072-97-5

End Use API

Palbociclib

About the Company

OctaneX Labs is a leading intermediates and Active Pharmaceutical Ingredients (API) manufacturing company...

OctaneX Labs is a leading intermediates and Active Pharmaceutical Ingredients (API) manufacturing company specializing in the development of innovative processes for the synthesis of a wide range of products. We also undertake custom pharmaceutical services and contract Research Synthesis. We are commited to create better quality of life by being at the forefront of research, manufacturing and marketing of high quality API'S.As a growing organization, we are aware that we can’t achieve our goals singly. We collaborate and work in unison with a large number of reputed and like-minded partners

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