N-methyl-1-{2-phenyl-5H,6H,7H-cyclopenta[d]pyrimidin-4-yl}-N-(1,3-thiazol-2-ylmethyl)piperidine-3-carboxamide

• ChemBase ID: 822675
• Molecular Formular: C24H27N5OS
• Molecular Mass: 433.56908
• Monoisotopic Mass: 433.19363151
• SMILES: c1(nc(nc2c1CCC2)c1ccccc1)N1CC(C(=O)N(Cc2nccs2)C)CCC1
• Canonical SMILES: O=C(N(Cc1nccs1)C)C1CCCN(C1)c1nc(nc2c1CCC2)c1ccccc1
• InChI: InChI=1S/C24H27N5OS/c1-28(16-21-25-12-14-31-21)24(30)18-9-6-13-29(15-18)23-19-10-5-11-20(19)26-22(27-23)17-7-3-2-4-8-17/h2-4,7-8,12,14,18H,5-6,9-11,13,15-16H2,1H3
• InChIKey: RAZILNCJZVLVSW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-1-{2-phenyl-5H,6H,7H-cyclopenta[d]pyrimidin-4-yl}-N-(1,3-thiazol-2-ylmethyl)piperidine-3-carboxamide
• IUPAC Traditional name: N-methyl-1-{2-phenyl-5H,6H,7H-cyclopenta[d]pyrimidin-4-yl}-N-(1,3-thiazol-2-ylmethyl)piperidine-3-carboxamide
• Synonyms: N-methyl-1-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-N-(1,3-thiazol-2-ylmethyl)-3-piperidinecarboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 4.07274
• LogD (pH = 7.4): 4.4575105
• Log P: 4.465516
• Molar Refractivity: 134.3244 cm^3
• Polarizability: 47.166622 Å^3
• Polar Surface Area: 62.22 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 3.83
• LOG S: -5.57
• Polar Surface Area: 62.22 Å^2
• Rotatable Bonds: 5