AG001DEW

1457983-28-6 | 8-Bromo-2-[(1-methyl-4-piperidinyl)amino]-4-[(4-phenoxyphenyl)amino]pyrido[4,3-d]pyrimidin-5(6H)-one

AG001DEW

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CAS Number	1457983-28-6
Catalog Number	AG001DEW(AGN-PC-0WGD0L)
Chemical Name	8-Bromo-2-[(1-methyl-4-piperidinyl)amino]-4-[(4-phenoxyphenyl)amino]pyrido[4,3-d]pyrimidin-5(6H)-one
IUPAC Name	8-bromo-2-[(1-methylpiperidin-4-yl)amino]-4-(4-phenoxyanilino)-6H-pyrido[4,3-d]pyrimidin-5-one
InChI	InChI=1S/C25H25BrN6O2/c1-32-13-11-17(12-14-32)29-25-30-22-20(26)15-27-24(33)21(22)23(31-25)28-16-7-9-19(10-8-16)34-18-5-3-2-4-6-18/h2-10,15,17H,11-14H2,1H3,(H,27,33)(H2,28,29,30,31)
InChI Key	SXWMIXPJPNCXQQ-UHFFFAOYSA-N
MDL Number	MFCD28167815
Molecular Formula	C25H25BrN6O2
Molecular Weight	521.4090
SMILES	N(c1c2c(nc(n1)NC1CCN(CC1)C)c(Br)c[nH]c2=O)c1ccc(cc1)Oc1ccccc1
UNII	B06W426B66
Synonyms	G-749, 1457983-28-6, G749, UNII-B06W426B66, B06W426B66, 8-Bromo-2-((1-methylpiperidin-4-yl)amino)-4-((4-phenoxyphenyl)amino)pyrido[4,3-D]pyrimidin-5(6H)-one, 8-bromo-2-[(1-methylpiperidin-4-yl)amino]-4-(4-phenoxyanilino)-6H-pyrido[4,3-d]pyrimidin-5-one, C25H25BrN6O2, GTPL8108, SCHEMBL15265027, AOB87764, BCP11201, EX-A1074, 2183AH, MFCD28167815, s7545, ZINC95644293, AKOS026750566, CS-3343, NCGC00386412-04, BC600605, HY-12333, QC-11719, FT-0700207, G 749;G749, A14214, J-690186, 8-bromo-2-[(1-methylpiperidin-4-yl)amino]-4-[(4-phenoxyphenyl)amino]-5H,6H-pyrido[4,3-d]pyrimidin-5-one, D0N3XP, SXWMIXPJPNCXQQ-UHFFFAOYSA-N, A8889, N-(4-(1H-1,2,3-triazol-1-yl)benzyl)-2-(2-isopropylphenyl)-5-methylpyrimidin-4-amine, Pyrido[4,3-d]pyrimidin-5(6H)-one, 8-bromo-2-[(1-methyl-4-piperidinyl)amino]-4-[(4-phenoxyphenyl)amino]-,

Complexity	716
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	520.122g/mol
Formal Charge	0
Heavy Atom Count	34
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	521.419g/mol
Monoisotopic Mass	520.122g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	91.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.9

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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