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CAS 503615-07-4
Also known as: 503615-07-4, Cid 23635387, Ethyl 6-(4-aminophenyl)-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[3,4-c]pyridine-3-carboxylate, Schembl2000886, Dtxsid60635276, Amy36770
Molecular Formula
C22H22N4O4
Molecular Weight
406.4  g/mol
InChI Key
UVAQGQOGOJLALA-UHFFFAOYSA-N

1 2D Structure

CAS 503615-07-4

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
ethyl 6-(4-aminophenyl)-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[3,4-c]pyridine-3-carboxylate
2.1.2 InChI
InChI=1S/C22H22N4O4/c1-3-30-22(28)19-18-12-13-25(15-6-4-14(23)5-7-15)21(27)20(18)26(24-19)16-8-10-17(29-2)11-9-16/h4-11H,3,12-13,23H2,1-2H3
2.1.3 InChI Key
UVAQGQOGOJLALA-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CCOC(=O)C1=NN(C2=C1CCN(C2=O)C3=CC=C(C=C3)N)C4=CC=C(C=C4)OC
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 503615-07-4

2. Cid 23635387

3. Ethyl 6-(4-aminophenyl)-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[3,4-c]pyridine-3-carboxylate

4. Schembl2000886

5. Dtxsid60635276

6. Amy36770

7. Cs-m2449

8. Mfcd18251628

9. Zinc83428816

10. Akos016011651

11. Ds-6994

12. 6-(4-aminophenyl)-1-(4-methoxyphenyl)-7-oxo-4,5,6,7-tetrahydro-1h-pyrazolo[3,4-c]pyridine-3-carboxylic Acid Ethyl Ester

13. Ac-26843

14. A871582

15. Ethyl-6-(4-aminophenyl)-1-(4-methoxyphenyl)-7-oxo-4,5,6,7-tetrahydro-1h-pyrazolo[3,4-c]pyridine-3-carboxylate

16. Ethyl6-(4-aminophenyl)-1-(4-methoxyphenyl)-7-oxo-4,5,6,7-tetrahydro-1h-pyrazolo[3,4-c]pyridine-3-carboxylate

2.3 Create Date
2008-01-07
3 Chemical and Physical Properties
Molecular Weight 406.4 g/mol
Molecular Formula C22H22N4O4
XLogP33.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Exact Mass406.16410520 g/mol
Monoisotopic Mass406.16410520 g/mol
Topological Polar Surface Area99.7 Ų
Heavy Atom Count30
Formal Charge0
Complexity616
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
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Guangzhou Topwork Chemical Co., Ltd. Specializes in manufacturing corticosteroid and relative intermediates. We provide high quality products and excellent service to our clients and have gained a high business reputation in the world market. Topwork gathers a group of energetic, hardworking and much experienced experts. They dedicate their entire efforts to research and development of new products. To guarantee the quality of our products, we have established an international standard quality control system. All of our products conform the latest standard of USP, EP, BP and CP.
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Apixaban
Guangzhou Topwork Chemical Co., Ltd. Specializes in manufacturing corticosteroid and relative intermediat...
Guangzhou Topwork Chemical Co., Ltd. Specializes in manufacturing corticosteroid and relative intermediates. We provide high quality products and excellent service to our clients and have gained a high business reputation in the world market. Topwork gathers a group of energetic, hardworking and much experienced experts. They dedicate their entire efforts to research and development of new products. To guarantee the quality of our products, we have established an international standard quality control system. All of our products conform the latest standard of USP, EP, BP and CP.
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