AG00819Z

1213269-23-8 | N-(3-(5-Chloro-2-(2-methoxy-4-(4-methylpiperazin-1-yl)phenylamino)pyrimidin-4-yloxy)phenyl)acrylamide

AG00819Z

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CAS Number	1213269-23-8
Catalog Number	AG00819Z(AGN-PC-079GRJ)
Chemical Name	N-(3-(5-Chloro-2-(2-methoxy-4-(4-methylpiperazin-1-yl)phenylamino)pyrimidin-4-yloxy)phenyl)acrylamide
IUPAC Name	N-[3-[5-chloro-2-[2-methoxy-4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]oxyphenyl]prop-2-enamide
InChI	InChI=1S/C25H27ClN6O3/c1-4-23(33)28-17-6-5-7-19(14-17)35-24-20(26)16-27-25(30-24)29-21-9-8-18(15-22(21)34-3)32-12-10-31(2)11-13-32/h4-9,14-16H,1,10-13H2,2-3H3,(H,28,33)(H,27,29,30)
InChI Key	ITTRLTNMFYIYPA-UHFFFAOYSA-N
MDL Number	MFCD16621244
Molecular Formula	C25H27ClN6O3
Molecular Weight	494.9733
SMILES	O(C)c1cc(ccc1Nc1nc(Oc2cc(NC(=O)C=C)ccc2)c(cn1)Cl)N1CCN(CC1)C
UNII	6BQ432Z61M
Synonyms	N-(3-((5-chloro-2-((2-methoxy-4-(4-methyl-1-piperazinyl)phenyl)amino)-4-pyrimidinyl)oxy)phenyl)acrylamide, WZ-4002, WZ4002, WZ4002, 1213269-23-8, WZ-4002, N-(3-(5-chloro-2-(2-methoxy-4-(4-methylpiperazin-1-yl)phenylamino)pyrimidin-4-yloxy)phenyl)acrylamide, WZ 4002, UNII-6BQ432Z61M, CHEBI:61400, CHEMBL1229592, 6BQ432Z61M, N-{3-[(5-chloro-2-{[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)oxy]phenyl}prop-2-enamide, N-[3-[[5-Chloro-2-[[2-methoxy-4-(4-methyl-1-piperazinyl)phenyl]amino]-4-pyrimidinyl]oxy]phenyl]-2-propenamide, N-[3-[5-chloro-2-[2-methoxy-4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]oxyphenyl]prop-2-enamide, SMR001913510, SCHEMBL93699, MLS003230945, MLS006011213, GTPL9176, QCR-55, CTK4B2311, DTXSID30153230, EX-A416, HMS3265O15, HMS3265O16, HMS3265P15, HMS3265P16, HMS3654C16, BCP02515, KS-00000T9M, ABP000892, BDBM50383274, s1173, ZINC52509385, AKOS025401946, CS-0167, RL00923, SB19360, NCGC00263144-01, NCGC00263144-02, NCGC00263144-11, AC-27472, AK186845, AS-19387, BC659932, DA-47168, HY-12026, SC-95559, AB0033756, WZ4002, >=98% (HPLC), FT-0730384, SW219315-1, X7482, EC-000.2280, S-7689, J-004480, J-523322, WZ4002 , WZ 4002, 213269-23-8, N-(3-((5-chloro-2-((2-methoxy-4-(4-methylpiperazin-1-yl)phenyl)amino)pyrimidin-4-yl)oxy)phenyl)acrylamide, N-(3-(5-chloro-2-(2-methoxy-4-(4-methylpiperazine-1-yl)phenylamino)pyrimidin-4yloxy)phenyl)acrylam, D0NJ3Q, C25H27ClN6O3, cc-192, ITTRLTNMFYIYPA-UHFFFAOYSA-N, ACN-031534, WZ-3146, WZ-8040, A1389, EGFR-T790M kinase inhibitors (lung cancer), A10991, C571455, EGFR-T790M kinase inhibitors (lung cancer), Gatekeeper Pharmaceuticals, 2-Propenamide, N-[3-[[5-chloro-2-[[2-methoxy-4-(4-methyl-1-piperazinyl)phenyl]amino]-4-pyrimidinyl]oxy]phenyl]-, N-(3-((5-chloro-2-((2-methoxy-4-(4-methyl-1-piperazinyl)phenyl)amino)-4-pyrimidinyl)oxy)phenyl)acrylamide,

Complexity	694
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	494.183g/mol
Formal Charge	0
Heavy Atom Count	35
Hydrogen Bond Acceptor Count	8
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	494.98g/mol
Monoisotopic Mass	494.183g/mol
Rotatable Bond Count	8
Topological Polar Surface Area	91.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.2

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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