(2S,3R)-N-cyclopropyl-3-[[2-[[4-[methyl-(1-methylpiperidin-4-yl)carbamoyl]phenyl]amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]bicyclo[2.2.2]octane-2-carboxamide

Systemtic Name: (2S,3R)-N-cyclopropyl-3-[[2-[[4-[methyl-(1-methylpiperidin-4-yl)carbamoyl]phenyl]amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]bicyclo[2.2.2]octane-2-carboxamide Openeye Name: (2S,3R)-N-cyclopropyl-3-[[2-[4-[methyl-(1-methyl-4-piperidyl)carbamoyl]anilino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]bicyclo[2.2.2]octane-2-carboxamide CAS Name: (2S,3R)-N-cyclopropyl-3-[[2-[4-[[methyl-(1-methyl-4-piperidinyl)amino]-oxomethyl]anilino]-5-(trifluoromethyl)-4-pyrimidinyl]amino]-2-bicyclo[2.2.2]octanecarboxamide IUPAC Name: (2S,3R)-N-cyclopropyl-3-[[2-[4-[methyl-(1-methylpiperidin-4-yl)carbamoyl]anilino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]bicyclo[2.2.2]octane-2-carboxamide Traditional Name: (2S,3R)-N-cyclopropyl-3-[[2-[4-[methyl-(1-methyl-4-piperidyl)carbamoyl]anilino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]bicyclo[2.2.2]octane-2-carboxamide Formula: C31H40F3N7O2 MolecularWeight: 599.69021

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(CC1)N(C)C(=O)C2=CC=C(C=C2)NC3=NC=C(C(=N3)NC4C5CCC(C4C(=O)NC6CC6)CC5)C(F)(F)F

Isomeric SMILES

CN1CCC(CC1)N(C)C(=O)C2=CC=C(C=C2)NC3=NC=C(C(=N3)N[C@H]4[C@H](C5CCC4CC5)C(=O)NC6CC6)C(F)(F)F

InChI

InChI=1S/C31H40F3N7O2/c1-40-15-13-23(14-16-40)41(2)29(43)20-7-9-22(10-8-20)37-30-35-17-24(31(32,33)34)27(39-30)38-26-19-5-3-18(4-6-19)25(26)28(42)36-21-11-12-21/h7-10,17-19,21,23,25-26H,3-6,11-16H2,1-2H3,(H,36,42)(H2,35,37,38,39)/t18?,19?,25-,26+/m0/s1