1-(4-azanyl-5-fluoranyl-pyrimidin-2-yl)-N-[(1-pyridin-3-ylcyclohexyl)methyl]-3-(trifluoromethyl)pyrazole-4-carboxamide

Systemtic Name: 1-(4-azanyl-5-fluoranyl-pyrimidin-2-yl)-N-[(1-pyridin-3-ylcyclohexyl)methyl]-3-(trifluoromethyl)pyrazole-4-carboxamide Openeye Name: 1-(4-amino-5-fluoro-pyrimidin-2-yl)-N-[[1-(3-pyridyl)cyclohexyl]methyl]-3-(trifluoromethyl)pyrazole-4-carboxamide CAS Name: 1-(4-amino-5-fluoro-2-pyrimidinyl)-N-[[1-(3-pyridinyl)cyclohexyl]methyl]-3-(trifluoromethyl)-4-pyrazolecarboxamide IUPAC Name: 1-(4-amino-5-fluoropyrimidin-2-yl)-N-[(1-pyridin-3-ylcyclohexyl)methyl]-3-(trifluoromethyl)pyrazole-4-carboxamide Traditional Name: 1-(4-amino-5-fluoro-pyrimidin-2-yl)-N-[[1-(3-pyridyl)cyclohexyl]methyl]-3-(trifluoromethyl)pyrazole-4-carboxamide Formula: C21H21F4N7O MolecularWeight: 463.431353

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(CNC(=O)C2=CN(N=C2C(F)(F)F)C3=NC=C(C(=N3)N)F)C4=CN=CC=C4

Isomeric SMILES

C1CCC(CC1)(CNC(=O)C2=CN(N=C2C(F)(F)F)C3=NC=C(C(=N3)N)F)C4=CN=CC=C4

InChI

InChI=1S/C21H21F4N7O/c22-15-10-28-19(30-17(15)26)32-11-14(16(31-32)21(23,24)25)18(33)29-12-20(6-2-1-3-7-20)13-5-4-8-27-9-13/h4-5,8-11H,1-3,6-7,12H2,(H,29,33)(H2,26,28,30)