4-(4-fluorophenyl)-1-methyl-5-[2-[[(2S)-3-methyl-3-oxidanyl-butan-2-yl]amino]pyrimidin-4-yl]-2-piperidin-4-yl-pyrazol-3-one

Systemtic Name: 4-(4-fluorophenyl)-1-methyl-5-[2-[[(2S)-3-methyl-3-oxidanyl-butan-2-yl]amino]pyrimidin-4-yl]-2-piperidin-4-yl-pyrazol-3-one Openeye Name: 4-(4-fluorophenyl)-5-[2-[[(1S)-2-hydroxy-1,2-dimethyl-propyl]amino]pyrimidin-4-yl]-1-methyl-2-(4-piperidyl)pyrazol-3-one CAS Name: 4-(4-fluorophenyl)-5-[2-[[(2S)-3-hydroxy-3-methylbutan-2-yl]amino]-4-pyrimidinyl]-1-methyl-2-(4-piperidinyl)-3-pyrazolone IUPAC Name: 4-(4-fluorophenyl)-5-[2-[[(2S)-3-hydroxy-3-methylbutan-2-yl]amino]pyrimidin-4-yl]-1-methyl-2-piperidin-4-ylpyrazol-3-one Traditional Name: 4-(4-fluorophenyl)-5-[2-[[(1S)-2-hydroxy-1,2-dimethyl-propyl]amino]pyrimidin-4-yl]-1-methyl-2-(4-piperidyl)-3-pyrazolin-3-one Formula: C24H31FN6O2 MolecularWeight: 454.540343

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@@H](C(C)(C)O)NC1=NC=CC(=N1)C2=C(C(=O)N(N2C)C3CCNCC3)C4=CC=C(C=C4)F

InChI

InChI=1S/C24H31FN6O2/c1-15(24(2,3)33)28-23-27-14-11-19(29-23)21-20(16-5-7-17(25)8-6-16)22(32)31(30(21)4)18-9-12-26-13-10-18/h5-8,11,14-15,18,26,33H,9-10,12-13H2,1-4H3,(H,27,28,29)/t15-/m0/s1