AG0016BZ

1218942-37-0 | 1H-Pyrazolo[4,3-c]pyridine-3,6(2H,5H)-dione, 2-(2-chlorophenyl)-4-[3-(dimethylamino)phenyl]-5-methyl-

AG0016BZ

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CAS Number	1218942-37-0
Catalog Number	AG0016BZ(AGN-PC-0WA4YX)
Chemical Name	1H-Pyrazolo[4,3-c]pyridine-3,6(2H,5H)-dione, 2-(2-chlorophenyl)-4-[3-(dimethylamino)phenyl]-5-methyl-
IUPAC Name	2-(2-chlorophenyl)-4-[3-(dimethylamino)phenyl]-5-methyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione
InChI	InChI=1S/C21H19ClN4O2/c1-24(2)14-8-6-7-13(11-14)20-19-16(12-18(27)25(20)3)23-26(21(19)28)17-10-5-4-9-15(17)22/h4-12,23H,1-3H3
InChI Key	RGYQPQARIQKJKH-UHFFFAOYSA-N
MDL Number	MFCD27923122
Molecular Formula	C21H19ClN4O2
Molecular Weight	394.8542
SMILES	O=C1N(C2=CC=CC=C2Cl)NC(C1=C(C3=CC=CC(N(C)C)=C3)N4C)=CC4=O
UNII	45II35329V
Synonyms	GKT137831, 1218942-37-0, GKT137831, GKT-137831, 2-(2-Chlorophenyl)-4-(3-(dimethylamino)phenyl)-5-methyl-1H-pyrazolo[4,3-c]pyridine-3,6(2H,5H)-dione, Setanaxib, UNII-45II35329V, 45II35329V, AK134876, 2-(2-Chlorophenyl)-4-(3-(dimethylamino)phenyl)-5-methyl-1H-pyrazolo(4,3-c)pyridine-3,6(2H,5H)-dione, 2-(2-chlorophenyl)-4-[3-(dimethylamino)phenyl]-5-methyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione, GKT 137831, setanaxib (proposed INN), GKT831, GTPL9932, SCHEMBL1302603, KS-00000RLK, AOB5773, DTXSID30153432, EX-A577, GKT-831, BCP14159, MFCD27923122, s7171, ZINC95670835, AKOS022176138, CS-3290, SB19230, NCGC00378460-08, NCGC00378460-09, BC600624, HY-12298, AJ-133482, AX8256730, ST2409276, 4CH-016131, FT-0700121, X3563, A14433, J-690070, 2-(2-Chlorophenyl)-4-[3-(dimethylamino)phenyl]-5-methylpyrazolo[4,3-c]pyridine-3,6(2H,5H)-dione, Abemaciclib, D04XVU, C21H19ClN4O2, GKT-01, RGYQPQARIQKJKH-UHFFFAOYSA-N, C576694, NADPH oxidase inhibitor (oral, renal cancer/ idiopathic pulmonary fibrosis), GenKyoTex,

Complexity	732
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	394.12g/mol
Formal Charge	0
Heavy Atom Count	28
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	394.859g/mol
Monoisotopic Mass	394.12g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	55.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P280-P305+P351+P338-P310
UN Code

Certificate of Analysis

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