AG00ABK7

1453848-26-4 | 1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-{2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl}pyridin-2-one

AG00ABK7

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CAS Number	1453848-26-4
Catalog Number	AG00ABK7(AGN-PC-0WAG55)
Chemical Name	1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-{2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl}pyridin-2-one
IUPAC Name	1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]pyridin-2-one
InChI	InChI=1S/C21H18ClFN6O2/c1-28-19(5-8-25-28)27-21-24-7-4-17(26-21)13-6-9-29(20(31)11-13)18(12-30)14-2-3-15(22)16(23)10-14/h2-11,18,30H,12H2,1H3,(H,24,26,27)/t18-/m1/s1
InChI Key	RZUOCXOYPYGSKL-GOSISDBHSA-N
MDL Number	MFCD28143918
Molecular Formula	C21H18ClFN6O2
Molecular Weight	440.8580
SMILES	O=C1C=C(C2=NC(NC3=CC=NN3C)=NC=C2)C=CN1[C@@H](C4=CC=C(Cl)C(F)=C4)CO
UNII	R6AXV96CRH
Synonyms	(S)-1-(1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl)-4-(2-((1-methyl-1H-pyrazol-5-yl)amino)pyrimidin-4-yl)pyridin-2(1H)-one, Ravoxertinib, GDC-0994, 1453848-26-4, GDC0994, UNII-R6AXV96CRH, R6AXV96CRH, RG-7842, (S)-1-(1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl)-4-(2-((1-methyl-1H-pyrazol-5-yl)amino)pyrimidin-4-yl)pyridin-2(1H)-one, 1-[(1~{s})-1-(4-Chloranyl-3-Fluoranyl-Phenyl)-2-Oxidanyl-Ethyl]-4-[2-[(2-Methylpyrazol-3-Yl)amino]pyrimidin-4-Yl]pyridin-2-One, 1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]pyridin-2-one, 1-[(1S)-1-(4-CHLORO-3-FLUOROPHENYL)-2-HYDROXYETHYL]-4-{2-[(2-METHYLPYRAZOL-3-YL)AMINO]PYRIMIDIN-4-YL}PYRIDIN-2-ONE, 6QB, Ravoxertinib [INN], Ravoxertinib [USAN], Ravoxertinib (GDC-0994), GTPL9229, CHEMBL3544964, SCHEMBL15245531, RZUOCXOYPYGSKL-GOSISDBHSA-N, BDBM120095, AOB87103, BCP09668, EX-A1614, GDC 0994, 2428AH, MFCD28143918, s7554, ZINC144904566, ACN-034761, CS-3704, SB17011, example 39 [WO2013130976], KS-0000064G, NCGC00386401-02, (S)-1-(1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl)-4-(2-(1-methyl-1H-pyrazol-5-ylamino)pyrimidin-4-yl)pyridin-2(1H)-one, BC600539, HY-15947, B5817, FT-0772315, J3.611.606D, US8697715, 39, (S)-1-[1-(4-Chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(1-methyl-5-pyrazolyl)amino]-4-pyrimidyl]-2(1H)-pyridone, 1-((1S)-1-(4-Chloro-3-fluorophenyl)-2-hydroxyethyl)-4-(2-((1-methyl-1H-pyrazol-5-yl)amino)pyrimidin- 4-yl)pyridin-2(1H)-one, 1-[(1S)-1-(4-Chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(1-methyl-1H-pyrazol-5-yl)amino]-4-pyrimidinyl]-2(1H)-pyridinone, 2(1H)-Pyridinone, 1-((1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl)-4-(2-((1-methyl-1H-pyrazol-5-yl)amino)-4-pyrimidinyl)-, C21H18ClFN6O2, A13420,

Complexity	709
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	440.116g/mol
Formal Charge	0
Heavy Atom Count	31
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	440.863g/mol
Monoisotopic Mass	440.116g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	96.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	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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