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

Systemtic Name: 5-[2-(butan-2-ylamino)pyrimidin-4-yl]-1-(1-ethanoylpiperidin-4-yl)-4-(4-fluorophenyl)-2-methyl-pyrazol-3-one Openeye Name: 1-(1-acetyl-4-piperidyl)-4-(4-fluorophenyl)-2-methyl-5-[2-(sec-butylamino)pyrimidin-4-yl]pyrazol-3-one CAS Name: 1-(1-acetyl-4-piperidinyl)-5-[2-(butan-2-ylamino)-4-pyrimidinyl]-4-(4-fluorophenyl)-2-methyl-3-pyrazolone IUPAC Name: 1-(1-acetylpiperidin-4-yl)-5-[2-(butan-2-ylamino)pyrimidin-4-yl]-4-(4-fluorophenyl)-2-methylpyrazol-3-one Traditional Name: 1-(1-acetyl-4-piperidyl)-4-(4-fluorophenyl)-2-methyl-5-[2-(sec-butylamino)pyrimidin-4-yl]-3-pyrazolin-3-one Formula: C25H31FN6O2 MolecularWeight: 466.551043

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC1=NC=CC(=N1)C2=C(C(=O)N(N2C3CCN(CC3)C(=O)C)C)C4=CC=C(C=C4)F

Isomeric SMILES

CCC(C)NC1=NC=CC(=N1)C2=C(C(=O)N(N2C3CCN(CC3)C(=O)C)C)C4=CC=C(C=C4)F

InChI

InChI=1S/C25H31FN6O2/c1-5-16(2)28-25-27-13-10-21(29-25)23-22(18-6-8-19(26)9-7-18)24(34)30(4)32(23)20-11-14-31(15-12-20)17(3)33/h6-10,13,16,20H,5,11-12,14-15H2,1-4H3,(H,27,28,29)