6-methyl-N-[(4-phenylmorpholin-2-yl)methyl]imidazo[1,2-a]pyridine-2-carboxamide

• ChemBase编号: 385702
• 分子式: C20H22N4O2
• 平均质量: 350.41428
• 单一同位素质量: 350.17427596
• SMILES: c1(nc2n(c1)cc(cc2)C)C(=O)NCC1CN(c2ccccc2)CCO1
• Canonical SMILES: Cc1ccc2n(c1)cc(n2)C(=O)NCC1OCCN(C1)c1ccccc1
• InChI: InChI=1S/C20H22N4O2/c1-15-7-8-19-22-18(14-24(19)12-15)20(25)21-11-17-13-23(9-10-26-17)16-5-3-2-4-6-16/h2-8,12,14,17H,9-11,13H2,1H3,(H,21,25)
• InChIKey: ZWFAJXJKRQRYDX-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 6-methyl-N-[(4-phenylmorpholin-2-yl)methyl]imidazo[1,2-a]pyridine-2-carboxamide
• IUPAC传统名: 6-methyl-N-[(4-phenylmorpholin-2-yl)methyl]imidazo[1,2-a]pyridine-2-carboxamide
• 别名: 6-methyl-N-[(4-phenyl-2-morpholinyl)methyl]imidazo[1,2-a]pyridine-2-carboxamide

理论计算性质

JChem

• Acid pKa: 14.641377
• 质子受体: 4
• 质子供体: 1
• LogD (pH = 5.5): 2.4750566
• LogD (pH = 7.4): 2.484053
• Log P: 2.4841688
• 摩尔折射率: 101.843 cm^3
• 极化性: 37.79773 Å^3
• 极化表面积: 58.87 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 3
• 质子供体: 1
• Log P: 2.09
• LOG S: -3.54
• 极化表面积: 58.87 Å^2
• 可自由旋转的化学键: 4