AG003AIY

630124-46-8 | N-[4-[(4-Ethyl-1-piperazinyl)methyl]-3-(trifluoromethyl)phenyl]-N'-[4-[[6-(methylamino)-4-pyrimidinyl]oxy]phenyl]urea

AG003AIY

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CAS Number	630124-46-8
Catalog Number	AG003AIY(AGN-PC-0T6W5X)
Chemical Name	N-[4-[(4-Ethyl-1-piperazinyl)methyl]-3-(trifluoromethyl)phenyl]-N'-[4-[[6-(methylamino)-4-pyrimidinyl]oxy]phenyl]urea
IUPAC Name	1-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-[4-[6-(methylamino)pyrimidin-4-yl]oxyphenyl]urea
InChI	InChI=1S/C26H30F3N7O2/c1-3-35-10-12-36(13-11-35)16-18-4-5-20(14-22(18)26(27,28)29)34-25(37)33-19-6-8-21(9-7-19)38-24-15-23(30-2)31-17-32-24/h4-9,14-15,17H,3,10-13,16H2,1-2H3,(H,30,31,32)(H2,33,34,37)
InChI Key	ODPGGGTTYSGTGO-UHFFFAOYSA-N
MDL Number	MFCD08353320
Molecular Formula	C26H30F3N7O2
Molecular Weight	529.5573
SMILES	O=C(NC1=CC=C(OC2=NC=NC(NC)=C2)C=C1)NC3=CC=C(CN4CCN(CC)CC4)C(C(F)(F)F)=C3
UNII	W34UO2M4T6
Synonyms	NVP-AST487, AST 487, AST-487, 630124-46-8, NVP-AST487, UNII-W34UO2M4T6, NVP-AST 487, W34UO2M4T6, 1-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-[4-[6-(methylamino)pyrimidin-4-yl]oxyphenyl]urea, C26H30F3N7O2, NVP-AST-487, Kinome_3855, AST-48, CHEMBL574738, GTPL5661, SCHEMBL1684259, BDBM31085, AST-487/AST487, DTXSID70212239, SYN1210, cid_11409972, BCP21589, EX-A1374, 3455AH, ZINC23247639, AKOS030526863, CS-0779, RL04396, NCGC00354729-03, HY-15002, Urea, N-(4-((4-ethyl-1-piperazinyl)methyl)-3-(trifluoromethyl)phenyl)-N'-(4-((6-(methylamino)-4-pyrimidinyl)oxy)phenyl)-, EC-000.2120, A15003, W-5519, J-519601, 1-(4-((4-Ethylpiperazin-1-yl)methyl)-3-(trifluoromethyl)phenyl)-3-(4-((6-(methylamino)pyrimidin-4-yl)oxy)phenyl)urea, 1-[4-[(4-ethyl-1-piperazinyl)methyl]-3-(trifluoromethyl)phenyl]-3-[4-[[6-(methylamino)-4-pyrimidinyl]oxy]phenyl]urea, 1-[4-[(4-ethylpiperazino)methyl]-3-(trifluoromethyl)phenyl]-3-[4-[6-(methylamino)pyrimidin-4-yl]oxyphenyl]urea, 3-{4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}-1-(4-{[6-(methylamino)pyrimidin-4-yl]oxy}phenyl)urea, N-[4-[(4-Ethyl-1-piperazinyl)methyl]-3-(trifluoromethyl)phenyl]-N'-[4-[[6-(methylamino)-4-pyrimidinyl]oxy]phenyl]urea, D0N7AJ, cc-640, AST487, CID11409972, CID 11409972, A3194,

Complexity	730
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	529.241g/mol
Formal Charge	0
Heavy Atom Count	38
Hydrogen Bond Acceptor Count	10
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	529.568g/mol
Monoisotopic Mass	529.241g/mol
Rotatable Bond Count	8
Topological Polar Surface Area	94.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.8

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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