4-(4-fluorophenyl)-5-[2-(1-methoxypropan-2-ylamino)pyrimidin-4-yl]-1-methyl-2-piperidin-4-yl-pyrazol-3-one

Systemtic Name: 4-(4-fluorophenyl)-5-[2-(1-methoxypropan-2-ylamino)pyrimidin-4-yl]-1-methyl-2-piperidin-4-yl-pyrazol-3-one Openeye Name: 4-(4-fluorophenyl)-5-[2-[(2-methoxy-1-methyl-ethyl)amino]pyrimidin-4-yl]-1-methyl-2-(4-piperidyl)pyrazol-3-one CAS Name: 4-(4-fluorophenyl)-5-[2-(1-methoxypropan-2-ylamino)-4-pyrimidinyl]-1-methyl-2-(4-piperidinyl)-3-pyrazolone IUPAC Name: 4-(4-fluorophenyl)-5-[2-(1-methoxypropan-2-ylamino)pyrimidin-4-yl]-1-methyl-2-piperidin-4-ylpyrazol-3-one Traditional Name: 4-(4-fluorophenyl)-5-[2-[(2-methoxy-1-methyl-ethyl)amino]pyrimidin-4-yl]-1-methyl-2-(4-piperidyl)-3-pyrazolin-3-one Formula: C23H29FN6O2 MolecularWeight: 440.513763

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Descriptors Computed from Structure

Canonical SMILES:

CC(COC)NC1=NC=CC(=N1)C2=C(C(=O)N(N2C)C3CCNCC3)C4=CC=C(C=C4)F

Isomeric SMILES

CC(COC)NC1=NC=CC(=N1)C2=C(C(=O)N(N2C)C3CCNCC3)C4=CC=C(C=C4)F

InChI

InChI=1S/C23H29FN6O2/c1-15(14-32-3)27-23-26-13-10-19(28-23)21-20(16-4-6-17(24)7-5-16)22(31)30(29(21)2)18-8-11-25-12-9-18/h4-7,10,13,15,18,25H,8-9,11-12,14H2,1-3H3,(H,26,27,28)