AG0032IR

503614-92-4 | 1-(4-Methoxyphenyl)-7-oxo-6-(4-(2-oxopiperidin-1-yl)phenyl)-4，5，6，7-tetrahydro-1H-pyrazolo[3，4-c]pyridine-3-carboxylic acid

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CAS Number	503614-92-4
Catalog Number	AG0032IR(AGN-PC-03MNSS)
Chemical Name	1-(4-Methoxyphenyl)-7-oxo-6-(4-(2-oxopiperidin-1-yl)phenyl)-4，5，6，7-tetrahydro-1H-pyrazolo[3，4-c]pyridine-3-carboxylic acid
IUPAC Name	1-(4-methoxyphenyl)-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[3,4-c]pyridine-3-carboxylic acid
InChI	InChI=1S/C25H24N4O5/c1-34-19-11-9-18(10-12-19)29-23-20(22(26-29)25(32)33)13-15-28(24(23)31)17-7-5-16(6-8-17)27-14-3-2-4-21(27)30/h5-12H,2-4,13-15H2,1H3,(H,32,33)
InChI Key	PPUHOTDYJQGTAE-UHFFFAOYSA-N
MDL Number	MFCD22376657
Molecular Formula	C25H24N4O5
Molecular Weight	460.4819
SMILES	O=C(C1=NN(C2=CC=C(OC)C=C2)C3=C1CCN(C4=CC=C(N5C(CCCC5)=O)C=C4)C3=O)O
Synonyms	503614-92-4, 1-(4-Methoxyphenyl)-7-oxo-6-(4-(2-oxopiperidin-1-yl)phenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine-3-carboxylic acid, 1-(4-Methoxyphenyl)-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine-3-carboxylic acid, AK-93031, PPUHOTDYJQGTAE-UHFFFAOYSA-N, SCHEMBL5445803, CTK8B4199, DTXSID70623725, BCP13323, CS-M2735, ANW-44239, MFCD22376657, ZINC81990581, AKOS015999674, ACN-025882, 4,5,6,7-tetrahydro-1-(4-methoxyphenyl)-7-oxo-6-[4-(2-oxo-1-piperidinyl)phenyl]-1H-Pyrazolo[3,4-c]pyridine-3-carboxylic acid, DA-18706, DS-17760, AJ-124049, AX8226877, TC-132984, FT-0742544, ST24021119, Z-2482, ro-1H-pyrazolo[3,4-c]pyridine-3-carboxylic acid, 1-(4-Methoxy-phenyl)-7-oxo-6-[4-(2-oxo-piperidin-1-yl)-phenyl]-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine-3-carboxylic acid, 1-(4-Methoxy-phenyl)-7-oxo-6-[4-(2-oxo-piperidin-1-yl)-phenyl]-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine-3carboxylic acid, 1-(4-Methoxyphenyl)-7-oxo-6-(4-(2-oxopiperidin-1-yl)phenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyr, 1H-Pyrazolo[3,4-c]pyridine-3-carboxylic acid,4,5,6,7-tetrahydro-1-(4-Methoxyphenyl)-7-oxo-6-[4-(2-oxo-1-piperidinyl)phenyl]-, 1-(4-methoxyphenyl)-7-oxo-6-(4-(2-oxopiperidin-1-yl)phenyl)-4,5,6,7-tetrahyd,

Complexity	777
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	460.175g/mol
Formal Charge	0
Heavy Atom Count	34
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	460.49g/mol
Monoisotopic Mass	460.175g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	105A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.9

GHS Hazard and Precautionary Statements

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

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