AG00DB5X

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

AG00DB5X

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CAS Number	536759-91-8
Catalog Number	AG00DB5X(AGN-PC-0SFPY7)
Chemical Name	4,5,6,7-Tetrahydro-1-(4-methoxyphenyl)-6-(4-nitrophenyl)-7-oxo-1H-pyrazolo[3,4-c]pyridine-3-carboxylic acid ethyl ester
EC Number	611-033-0
IUPAC Name	ethyl 1-(4-methoxyphenyl)-6-(4-nitrophenyl)-7-oxo-4,5-dihydropyrazolo[3,4-c]pyridine-3-carboxylate
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
InChI Key	RQNAOIQEGPVYTC-UHFFFAOYSA-N
MDL Number	MFCD18251627
Molecular Formula	C22H20N4O6
Molecular Weight	436.4174
SMILES	O=C(C1=NN(C2=CC=C(OC)C=C2)C3=C1CCN(C4=CC=C([N+]([O-])=O)C=C4)C3=O)OCC
Synonyms	536759-91-8, Ethyl 1-(4-methoxyphenyl)-6-(4-nitrophenyl)-7-oxo-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine-3-carboxylate, 4,5,6,7-TETRAHYDRO-1-(4-METHOXYPHENYL)-6-(4-NITROPHENYL)-7-OXO-1H-PYRAZOLO[3,4-C]PYRIDINE-3-CARBOXYLIC ACID ETHYL ESTER, AK-84868, ethyl 1-(4-methoxyphenyl)-6-(4-nitrophenyl)-7-oxo-4,5-dihydropyrazolo[3,4-c]pyridine-3-carboxylate, Ethyl1-(4-Methoxyphenyl)-6-(4-nitrophenyl)-7-oxo-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine-3-carboxylate, RQNAOIQEGPVYTC-UHFFFAOYSA-N, SCHEMBL8243908, [3,4-c]pyridine-3-carboxylate, CTK8B9854, KS-00000PWE, DTXSID10470997, BCP12343, CS-M0374, ANW-63318, MFCD18251627, ZINC34636684, AKOS016003678, RL03989, AC-26842, AJ-89900, AN-27918, DA-16945, DS-17571, AX8228094, TC-152063, FT-0698545, ST24046724, Z3576, J-514039, ethyl 1-(4-methoxyphenyl)-6-(4-nitrophenyl)-7-oxo-4,5,6,7-tetrahydro-1H-pyrazolo, 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, 4,5,6,7-Tetrahydro-1-(4-methoxyphenyl)-6-(4-nitrophenyl)-7-oxo-1H-pyrazolo [3,4-c]pyridine-3-carboxylic acid ethyl ester, 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-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine-3-ca, C22H20N4O6, CB11969, CID11711790, CID 11711790, EC 611-033-0, 1H-Pyrazolo(3,4-C)pyridine-3-carboxylic acid, 4,5,6,7-tetrahydro-1-(4-methoxyphenyl)-6-(4-nitrophenyl)-7-oxo-, ethyl ester, Ethyl 1-(4-methoxyphenyl)-6-(4-nitrophenyl)-7-oxo-4,5,6,7-tetrahydro-1H-pyrazolo(3,4-C)pyridine-3-carboxylate,

Complexity	699
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	436.138g/mol
Formal Charge	0
Heavy Atom Count	32
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	436.424g/mol
Monoisotopic Mass	436.138g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	120A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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