(1-{2-phenylimidazo[1,2-a]pyridine-6-carbonyl}piperidin-3-yl)methanamine

• ChemBase ID: 470173
• Molecular Formular: C20H22N4O
• Molecular Mass: 334.41488
• Monoisotopic Mass: 334.17936134
• SMILES: c1(C(=O)N2CC(CN)CCC2)cn2c(nc(c2)c2ccccc2)cc1
• Canonical SMILES: NCC1CCCN(C1)C(=O)c1ccc2n(c1)cc(n2)c1ccccc1
• InChI: InChI=1S/C20H22N4O/c21-11-15-5-4-10-23(12-15)20(25)17-8-9-19-22-18(14-24(19)13-17)16-6-2-1-3-7-16/h1-3,6-9,13-15H,4-5,10-12,21H2
• InChIKey: XRAYMUQSBFLPFL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1-{2-phenylimidazo[1,2-a]pyridine-6-carbonyl}piperidin-3-yl)methanamine
• IUPAC Traditional name: (1-{2-phenylimidazo[1,2-a]pyridine-6-carbonyl}piperidin-3-yl)methanamine
• Synonyms: ({1-[(2-phenylimidazo[1,2-a]pyridin-6-yl)carbonyl]piperidin-3-yl}methyl)amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.3933759
• LogD (pH = 7.4): -0.49515212
• Log P: 1.8039528
• Molar Refractivity: 99.6734 cm^3
• Polarizability: 38.944416 Å^3
• Polar Surface Area: 63.63 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 1.27
• LOG S: -2.72
• Polar Surface Area: 63.63 Å^2
• Rotatable Bonds: 3