AG01DH0S

1802929-43-6 | 6-(2,6-Dichloro-3,5-dimethoxyphenyl)-2-(methylamino)-8-[3-[4-(1-oxo-2-propen-1-yl)-1-piperazinyl]propyl]pyrido[2,3-d]pyrimidin-7(8H)-one

AG01DH0S

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CAS Number	1802929-43-6
Catalog Number	AG01DH0S
Chemical Name	6-(2,6-Dichloro-3,5-dimethoxyphenyl)-2-(methylamino)-8-[3-[4-(1-oxo-2-propen-1-yl)-1-piperazinyl]propyl]pyrido[2,3-d]pyrimidin-7(8H)-one
IUPAC Name	6-(2,6-dichloro-3,5-dimethoxyphenyl)-2-(methylamino)-8-[3-(4-prop-2-enoylpiperazin-1-yl)propyl]pyrido[2,3-d]pyrimidin-7-one
InChI	InChI=1S/C26H30Cl2N6O4/c1-5-20(35)33-11-9-32(10-12-33)7-6-8-34-24-16(15-30-26(29-2)31-24)13-17(25(34)36)21-22(27)18(37-3)14-19(38-4)23(21)28/h5,13-15H,1,6-12H2,2-4H3,(H,29,30,31)
InChI Key	PUIXMSRTTHLNKI-UHFFFAOYSA-N
MDL Number	MFCD31560471
Molecular Formula	C26H30Cl2N6O4
Molecular Weight	561.4602
SMILES	O=c1c(cc2c(n1CCCN1CCN(CC1)C(=O)C=C)nc(nc2)NC)c1c(Cl)c(OC)cc(c1Cl)OC
UNII	S3OPE9IA3Q
Synonyms	8-(3-(4-acryloylpiperazin-1-yl)propyl)-6-(2,6-dichloro-3,5-dimethoxyphenyl)-2-(methylamino)pyrido(2,3-d)pyrimidin-7(8H)-one, PRN1371, PRN1371, 1802929-43-6, PRN-1371, UNII-S3OPE9IA3Q, S3OPE9IA3Q, 8-(3-(4-acryloylpiperazin-1-yl)propyl)-6-(2,6-dichloro-3,5-dimethoxyphenyl)-2-(methylamino)pyrido[2,3-d]pyrimidin-7(8H)-one, 6-(2,6-dichloro-3,5-dimethoxyphenyl)-2-(methylamino)-8-[3-(4-prop-2-enoylpiperazin-1-yl)propyl]pyrido[2,3-d]pyrimidin-7-one, GTPL9788, CHEMBL4068509, SCHEMBL16993012, US9567334, Example 6, BDBM286984, BCP20493, s8578, CS-7485, compound 34 [PMID: 28665128], HY-101768, J3.662.238E,

Complexity	870
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	560.171g/mol
Formal Charge	0
Heavy Atom Count	38
Hydrogen Bond Acceptor Count	8
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	561.464g/mol
Monoisotopic Mass	560.171g/mol
Rotatable Bond Count	9
Topological Polar Surface Area	100A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.5

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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