1-cyclohexyl-N-(1-{imidazo[1,2-a]pyrimidin-2-yl}propyl)piperidine-4-carboxamide

• ChemBase ID: 618614
• Molecular Formular: C21H31N5O
• Molecular Mass: 369.50374
• Monoisotopic Mass: 369.25286064
• SMILES: c12nc(cn1cccn2)C(NC(=O)C1CCN(CC1)C1CCCCC1)CC
• Canonical SMILES: CCC(c1cn2c(n1)nccc2)NC(=O)C1CCN(CC1)C1CCCCC1
• InChI: InChI=1S/C21H31N5O/c1-2-18(19-15-26-12-6-11-22-21(26)24-19)23-20(27)16-9-13-25(14-10-16)17-7-4-3-5-8-17/h6,11-12,15-18H,2-5,7-10,13-14H2,1H3,(H,23,27)
• InChIKey: YGPGBPODQZGFGV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-cyclohexyl-N-(1-{imidazo[1,2-a]pyrimidin-2-yl}propyl)piperidine-4-carboxamide
• IUPAC Traditional name: 1-cyclohexyl-N-(1-{imidazo[1,2-a]pyrimidin-2-yl}propyl)piperidine-4-carboxamide
• Synonyms: 1-cyclohexyl-N-(1-imidazo[1,2-a]pyrimidin-2-ylpropyl)-4-piperidinecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.705753
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -1.2589777
• LogD (pH = 7.4): -0.4316316
• Log P: 2.2105649
• Molar Refractivity: 107.943 cm^3
• Polarizability: 41.303818 Å^3
• Polar Surface Area: 62.53 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.46
• LOG S: -4.0
• Polar Surface Area: 62.53 Å^2
• Rotatable Bonds: 5