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Also known as: 536759-91-8, 4,5,6,7-tetrahydro-1-(4-methoxyphenyl)-6-(4-nitrophenyl)-7-oxo-1h-pyrazolo[3,4-c]pyridine-3-carboxylic acid ethyl ester, Ethyl 1-(4-methoxyphenyl)-6-(4-nitrophenyl)-7-oxo-4,5-dihydropyrazolo[3,4-c]pyridine-3-carboxylate, Ethyl 1-(4-methoxyphenyl)-6-(4-nitrophenyl)-7-oxo-4,5,6,7-tetrahydro-1h-pyrazolo[3,4-c]pyridine-3-ca, Ethyl1-(4-methoxyphenyl)-6-(4-nitrophenyl)-7-oxo-4,5,6,7-tetrahydro-1h-pyrazolo[3,4-c]pyridine-3-carboxylate, Ec 611-033-0
Molecular Formula
C22H20N4O6
Molecular Weight
436.4  g/mol
InChI Key
RQNAOIQEGPVYTC-UHFFFAOYSA-N

CAS 536759-91-8
1 2D Structure

CAS 536759-91-8

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
ethyl 1-(4-methoxyphenyl)-6-(4-nitrophenyl)-7-oxo-4,5-dihydropyrazolo[3,4-c]pyridine-3-carboxylate
2.1.2 InChI
InChI=1S/C22H20N4O6/c1-3-32-22(28)19-18-12-13-24(14-4-6-16(7-5-14)26(29)30)21(27)20(18)25(23-19)15-8-10-17(31-2)11-9-15/h4-11H,3,12-13H2,1-2H3
2.1.3 InChI Key
RQNAOIQEGPVYTC-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CCOC(=O)C1=NN(C2=C1CCN(C2=O)C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=C(C=C4)OC
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 536759-91-8

2. 4,5,6,7-tetrahydro-1-(4-methoxyphenyl)-6-(4-nitrophenyl)-7-oxo-1h-pyrazolo[3,4-c]pyridine-3-carboxylic Acid Ethyl Ester

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

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

5. Ethyl1-(4-methoxyphenyl)-6-(4-nitrophenyl)-7-oxo-4,5,6,7-tetrahydro-1h-pyrazolo[3,4-c]pyridine-3-carboxylate

6. Ec 611-033-0

7. Schembl8243908

8. Amy8614

9. Dtxsid10470997

10. Bcp12343

11. Cs-m0374

12. Mfcd18251627

13. Zinc34636684

14. Akos016003678

15. 1h-pyrazolo(3,4-c)pyridine-3-carboxylic Acid, 4,5,6,7-tetrahydro-1-(4-methoxyphenyl)-6-(4-nitrophenyl)-7-oxo-, Ethyl Ester

16. Ac-26842

17. Da-16945

18. Ds-17571

19. Ft-0698545

20. F20580

21. A850069

22. J-514039

23. 1-(4-methoxy-phenyl)-6-(4-nitro-phenyl)-7-oxo-4,5,6,7-tetrahydro-1h-pyrazolo[3,4-c]pyridine-3-carboxylic Acid Ethyl Ester

24. 4,5,6,7-tetrahydro-1-(4-methoxyphenyl)-6-(4-nitrophenyl)-7-oxo-1h-pyrazolo[3,4-c]pyridine-3-carboxylic Acid Ethyl Ester

2.3 Create Date
2006-10-26
3 Chemical and Physical Properties
Molecular Weight 436.4 g/mol
Molecular Formula C22H20N4O6
XLogP33.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Exact Mass436.13828437 g/mol
Monoisotopic Mass436.13828437 g/mol
Topological Polar Surface Area120 Ų
Heavy Atom Count32
Formal Charge0
Complexity699
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

BUILDING BLOCK

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