AG000OX0

1258861-20-9 | Benzamide, 4-fluoro-N-methyl-N-[1-[4-(1-methyl-1H-pyrazol-5-yl)-1-phthalazinyl]-4-piperidinyl]-2-(trifluoromethyl)-

AG000OX0

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CAS Number	1258861-20-9
Catalog Number	AG000OX0(AGN-PC-0WADMP)
Chemical Name	Benzamide, 4-fluoro-N-methyl-N-[1-[4-(1-methyl-1H-pyrazol-5-yl)-1-phthalazinyl]-4-piperidinyl]-2-(trifluoromethyl)-
IUPAC Name	4-fluoro-N-methyl-N-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]-2-(trifluoromethyl)benzamide
InChI	InChI=1S/C26H24F4N6O/c1-34(25(37)20-8-7-16(27)15-21(20)26(28,29)30)17-10-13-36(14-11-17)24-19-6-4-3-5-18(19)23(32-33-24)22-9-12-31-35(22)2/h3-9,12,15,17H,10-11,13-14H2,1-2H3
InChI Key	SZBGQDXLNMELTB-UHFFFAOYSA-N
MDL Number	MFCD21609264
Molecular Formula	C26H24F4N6O
Molecular Weight	512.5020
SMILES	FC1=CC(C(F)(F)F)=C(C(N(C2CCN(C3=C(C=CC=C4)C4=C(C5=CC=NN5C)N=N3)CC2)C)=O)C=C1
UNII	QY8BWX1LJ5
Synonyms	LY2940680, taledegib, LY2940680, 1258861-20-9, Taladegib, LY-2940680, 4-Fluoro-N-methyl-N-(1-(4-(1-methyl-1H-pyrazol-5-yl)phthalazin-1-yl)piperidin-4-yl)-2-(trifluoromethyl)benzamide, UNII-QY8BWX1LJ5, Taladegib (LY2940680), LY 2940680, QY8BWX1LJ5, 4-fluoro-n-methyl-n-(1-(4-(1-methyl-1h-pyrazol-5-yl)-1-phthalazinyl)-4-piperidinyl)-2-(trifluoromethyl)benzamide, 4-fluoro-N-methyl-N-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]-2-(trifluoromethyl)benzamide, 4-Fluoro-N-Methyl-N-{1-[4-(1-Methyl-1h-Pyrazol-5-Yl)phthalazin-1-Yl]piperidin-4-Yl}-2-(Trifluoromethyl)benzamide, Benzamide, 4-fluoro-N-methyl-N-(1-(4-(1-methyl-1H-pyrazol-5-yl)-1-phthalazinyl)-4-piperidinyl)-2-(trifluoromethyl)-, Benzamide, 4-fluoro-N-methyl-N-[1-[4-(1-methyl-1H-pyrazol-5-yl)-1-phthalazinyl]-4-piperidinyl]-2-(trifluoromethyl)-, Taladegib [USAN:INN], 4-Fluoro-N-methyl-N-[1-[4-(1-methyl-1H-pyrazol-5-yl)-1-phthalazinyl]-4-piperidinyl]-2-(trifluoromethyl)benzamide, 4-Fluoro-N-methyl-N-{1-[4-(1-methyl-1H-pyrazol-5-yl)-1-phthalazinyl]-4-piperidinyl}-2-(trifluoromethyl)benzamide, 4-fluoro-N-methyl-N-{1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl}-2-(trifluoromethyl)benzamide, Taladegib (USAN/INN), MLS006011066, SCHEMBL2128615, CHEMBL2142592, C26H24F4N6O, GTPL10333, KS-00000XPN, DTXSID50154986, EX-A156, SZBGQDXLNMELTB-UHFFFAOYSA-N, BCP02512, ABP000897, MFCD21609264, s2157, ZINC68247898, AKOS026674116, BCP9000881, CS-0459, DB12550, RL01260, SB16504, NCGC00263170-01, NCGC00263170-06, AK198942, BC638822, HY-13242, QC-11811, SMR004702857, AB0033837, X7613, D10671, W-5853, J-515412, 1KS, LY 2940680|||4-fluoro-N-methyl-N-[1-[4-(1-methyl-1H-pyrazol-5-yl)-1-phthalazinyl]-4-piperidinyl]-2-(trifluoromethyl)-benzamide, D0W0SL, cc-431, A8651, A11048,

Complexity	794
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	512.195g/mol
Formal Charge	0
Heavy Atom Count	37
Hydrogen Bond Acceptor Count	9
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	512.513g/mol
Monoisotopic Mass	512.195g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	67.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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