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

• ChemBase ID: 619735
• Molecular Formular: C20H22N4O
• Molecular Mass: 334.41488
• Monoisotopic Mass: 334.17936134
• SMILES: c1(C(=O)N2C(CN)CCCC2)cn2c(nc(c2)c2ccccc2)cc1
• Canonical SMILES: NCC1CCCCN1C(=O)c1ccc2n(c1)cc(n2)c1ccccc1
• InChI: InChI=1S/C20H22N4O/c21-12-17-8-4-5-11-24(17)20(25)16-9-10-19-22-18(14-23(19)13-16)15-6-2-1-3-7-15/h1-3,6-7,9-10,13-14,17H,4-5,8,11-12,21H2
• InChIKey: JIJNTSWZQNHTDK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.92784995
• LogD (pH = 7.4): 0.44072473
• Log P: 2.2037668
• Molar Refractivity: 99.3344 cm^3
• Polarizability: 38.94439 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: 1.45
• LOG S: -2.88
• Polar Surface Area: 63.63 Å^2
• Rotatable Bonds: 3