AG009BPA

1346572-63-1 | N-((4,6-Dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl)-1-isopropyl-3-methyl-6-(6-(4-methylpiperazin-1-yl)pyridin-3-yl)-1H-indole-4-carboxamide

AG009BPA

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CAS Number	1346572-63-1
Catalog Number	AG009BPA(AGN-PC-0WAMHR)
Chemical Name	N-((4,6-Dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl)-1-isopropyl-3-methyl-6-(6-(4-methylpiperazin-1-yl)pyridin-3-yl)-1H-indole-4-carboxamide
IUPAC Name	N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methyl-6-[6-(4-methylpiperazin-1-yl)pyridin-3-yl]-1-propan-2-ylindole-4-carboxamide
InChI	InChI=1S/C31H38N6O2/c1-19(2)37-18-21(4)29-25(30(38)33-17-26-20(3)13-22(5)34-31(26)39)14-24(15-27(29)37)23-7-8-28(32-16-23)36-11-9-35(6)10-12-36/h7-8,13-16,18-19H,9-12,17H2,1-6H3,(H,33,38)(H,34,39)
InChI Key	HRDQQHUKUIKFHT-UHFFFAOYSA-N
MDL Number	MFCD28405142
Molecular Formula	C31H38N6O2
Molecular Weight	526.6724
SMILES	CC1=C(C(NC(=C1)C)=O)CNC(=O)C=1C=2C(=CN(C2C=C(C1)C=1C=NC(=CC1)N1CCN(CC1)C)C(C)C)C
Synonyms	GSK503, 1346572-63-1, GSK-503, N-((4,6-Dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl)-1-isopropyl-3-methyl-6-(6-(4-methylpiperazin-1-yl)pyridin-3-yl)-1H-indole-4-carboxamide, SCHEMBL2595868, CHEMBL3909511, KS-00000TIZ, EX-A613, HRDQQHUKUIKFHT-UHFFFAOYSA-N, BCP15520, GSK2635503C, 3708AH, MFCD28405142, s7804, ZINC72318149, AKOS026750204, SB19708, AK242035, BC600737, DA-45878, HY-12856, B5833, FT-0700173, J-690138, N-((4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl)-1-isopropyl-3-methyl-6-(6-(4-methylpiperazin-1-yl)pyridin-3-yl)-1 H-indole-4-carboxamide, N-[(4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl]-3-methyl-6-[6-(4-methylpiperazin-1-yl)pyridin-3-yl]-1-(propan-2-yl)-1H-indole-4-carboxamide, N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methyl-6-[6-(4-methylpiperazin-1-yl)pyridin-3-yl]-1-propan-2-ylindole-4-carboxamide, Selinexor, GSK 503, C31H38N6O2, CS-4179, A15549,

Complexity	984
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	526.306g/mol
Formal Charge	0
Heavy Atom Count	39
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	526.685g/mol
Monoisotopic Mass	526.306g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	82.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.8

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

Certificate of Analysis

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