Shanghai Jinli Biotechnology

CAS 473927-64-9

Chemistry, 1 End Use API, 93 Related Intermediates

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Also known as: 473927-64-9, Ethyl 6-(4-iodophenyl)-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[3,4-c]pyridine-3-carboxylate, 1-(4-methoxyphenyl)-6-(4-iodophenyl)-7-oxo-4,5,6,7-tetrahydro-1h-pyrazolo[3,4-c]pyridine-3-carboxylic acid ethyl ester, Ethyl 6-(4-iodophenyl)-1-(4-methoxyphenyl)-7-oxo-4,5,6,7-tetrahydro-1h-pyrazolo[3,4-c]pyridine-3-car, Schembl1995178, Dtxsid10623729

Molecular Formula

C₂₂H₂₀IN₃O₄

Molecular Weight

517.3 g/mol

InChI Key

DOONVRNBSUAOKN-UHFFFAOYSA-N

1 2D Structure

CAS 473927-64-9

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

ethyl 6-(4-iodophenyl)-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[3,4-c]pyridine-3-carboxylate

2.1.2 InChI

InChI=1S/C22H20IN3O4/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,3,12-13H2,1-2H3

2.1.3 InChI Key

DOONVRNBSUAOKN-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CCOC(=O)C1=NN(C2=C1CCN(C2=O)C3=CC=C(C=C3)I)C4=CC=C(C=C4)OC

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 473927-64-9

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

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

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

5. Schembl1995178

6. Dtxsid10623729

7. Bcp12271

8. Yta92764

9. Mfcd19442850

10. Zinc72194449

11. Akos015951077

12. Cid 22240493

13. Da-18709

14. Ds-17572

15. Cs-0009357

16. Ft-0687615

17. C75258

18. A872159

19. 1-(4-methoxy-phenyl)-6-(4-iodo-phenyl)-7-oxo-4,5,6,7-tetrahydro-1h-pyrazolo[3,4-c]pyridine-3-carboxylic Acid Ethyl Ester

20. 1-(4-methoxyphenyl)-6-(4-iodophenyl)-7-oxo-4,5,6,7-tetrahydro-1h-pyrazolo[3,4-c]pyridine-3-carboxylic Acid Ethyl Este

21. Ethyl 6-(4-iodophenyl)-1-(4-methoxyphenyl)-7-oxo-4,5,6,7-tetra Hydro-1h-pyrazolo[3,4-c]pyridine-3-carboxylate

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

2.3 Create Date

2007-12-05

3 Chemical and Physical Properties

Molecular Formula	C₂₂H₂₀IN₃O₄
Molecular Weight	517.3 g/mol
XLogP3	4.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	6
Exact Mass	517.04985 g/mol
Monoisotopic Mass	517.04985 g/mol
Topological Polar Surface Area	73.7 Å²
Heavy Atom Count	30
Formal Charge	0
Complexity	620
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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CAS Number

473927-63-8

End Use API

Apixaban

About the Company

Founded in 2008, Shanghai Jinli Biotechnology Co., Ltd. is a scientific and technological industrial ente...

Founded in 2008, Shanghai Jinli Biotechnology Co., Ltd. is a scientific and technological industrial enterprise that specializes in the research and development, production, and sales of pharmaceutical intermediates and health care products, and has the right to self-export. The company is located in Jinshan Sub-district of Shanghai Chemical Industry Zone, adjacent to Shanghai Petrochemical in the west, Shanghai Chemical Industry Zone in the east, G15 and S4 expressway Tingwei highway exit, the transportation is very convenient and the geographical position is superior.

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