AG003AMN

1206799-15-6 | N-[3-Fluoro-4-[[1-methyl-6-(1H-pyrazol-4-yl)-1H-indazol-5-yl]oxy]phenyl]-1-(4-fluorophenyl)-1,2-dihydro-6-methyl-2-oxo-3-pyridinecarboxamide

AG003AMN

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CAS Number	1206799-15-6
Catalog Number	AG003AMN(AGN-PC-0WADMM)
Chemical Name	N-[3-Fluoro-4-[[1-methyl-6-(1H-pyrazol-4-yl)-1H-indazol-5-yl]oxy]phenyl]-1-(4-fluorophenyl)-1,2-dihydro-6-methyl-2-oxo-3-pyridinecarboxamide
IUPAC Name	N-[3-fluoro-4-[1-methyl-6-(1H-pyrazol-4-yl)indazol-5-yl]oxyphenyl]-1-(4-fluorophenyl)-6-methyl-2-oxopyridine-3-carboxamide
InChI	InChI=1S/C30H22F2N6O3/c1-17-3-9-23(30(40)38(17)22-7-4-20(31)5-8-22)29(39)36-21-6-10-27(25(32)12-21)41-28-11-18-16-35-37(2)26(18)13-24(28)19-14-33-34-15-19/h3-16H,1-2H3,(H,33,34)(H,36,39)
InChI Key	QHADVLVFMKEIIP-UHFFFAOYSA-N
MDL Number	MFCD23160048
Molecular Formula	C30H22F2N6O3
Molecular Weight	552.5309
SMILES	FC=1C=C(C=CC1OC=1C=C2C=NN(C2=CC1C=1C=NNC1)C)NC(=O)C=1C(N(C(=CC1)C)C1=CC=C(C=C1)F)=O
UNII	5OGS5K699E
Synonyms	LY2801653, N-(3-fluoro-4-((1-methyl-6-(1H-pyrazol-4-yl)-1H-indazol-5 yl)oxy)phenyl)-1-(4-fluorophenyl)-6-methyl-2-oxo-1,2-dihydropyridine-3-carboxamide, Merestinib, LY2801653, 1206799-15-6, LY-2801653, UNII-5OGS5K699E, N-(3-fluoro-4-((1-methyl-6-(1H-pyrazol-4-yl)-1H-indazol-5-yl)oxy)phenyl)-1-(4-fluorophenyl)-6-methyl-2-oxo-1,2-dihydropyridine-3-carboxamide, 5OGS5K699E, N-(3-Fluoro-4-{[1-Methyl-6-(1h-Pyrazol-4-Yl)-1h-Indazol-5-Yl]oxy}phenyl)-1-(4-Fluorophenyl)-6-Methyl-2-Oxo-1,2-Dihydropyridine-3-Carboxamide, C30H22F2N6O3, N-(3-Fluoro-4-(1-methyl-6-(1H-pyrazol-4-yl)-1H-indazol-5-yloxy)phenyl)-1-(4-fluorophenyl)-6-methyl-2-oxo-1,2-dihydropyridine-3-carboxamide, N-[3-Fluoro-4-[[1-methyl-6-(1H-pyrazol-4-yl)-1H-indazol-5-yl]oxy]phenyl]-1-(4-fluorophenyl)-1,2-dihydro-6-methyl-2-oxo-3-pyridinecarboxamide, N-[3-fluoro-4-[1-methyl-6-(1H-pyrazol-4-yl)indazol-5-yl]oxyphenyl]-1-(4-fluorophenyl)-6-methyl-2-oxopyridine-3-carboxamide, Merestinib [USAN], ly2801653-merestinib, SCHEMBL679002, LY2801653 (Merestinib), Merestinib (LY2801653), GTPL9841, CHEMBL3545307, DTXSID20659635, QCR-139, SYN1222, QHADVLVFMKEIIP-UHFFFAOYSA-N, BCP06826, EX-A1264, KS-00000SA6, 3797AH, BDBM50172078, s7014, ZINC95926668, AKOS027323283, CS-1192, DB12381, SB16550, NCGC00378921-02, NCGC00378921-07, 3-Pyridinecarboxamide, N-(3-fluoro-4-((1-methyl-6-(1H-pyrazol-4-yl)-1H-indazol-5-yl)oxy)phenyl)-1-(4-fluorophenyl)-1,2-dihydro-6-methyl-2-oxo-, AK315242, AS-16348, HY-15514, AB0095019, FT-0745076, LY 2801653, J3.563.073B, W-6007, L1X, D06EGV, A3573, A12557,

Complexity	1050
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	552.172g/mol
Formal Charge	0
Heavy Atom Count	41
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	552.542g/mol
Monoisotopic Mass	552.172g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	105A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.7

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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