N-{5H,6H,7H,8H-imidazo[1,2-a]pyridin-3-yl}-4-methoxy-3-(morpholin-4-yl)benzamide

• ChemBase编号: 479095
• 分子式: C19H24N4O3
• 平均质量: 356.41886
• 单一同位素质量: 356.18484065
• SMILES: c1(n2c(nc1)CCCC2)NC(=O)c1cc(N2CCOCC2)c(cc1)OC
• Canonical SMILES: COc1ccc(cc1N1CCOCC1)C(=O)Nc1cnc2n1CCCC2
• InChI: InChI=1S/C19H24N4O3/c1-25-16-6-5-14(12-15(16)22-8-10-26-11-9-22)19(24)21-18-13-20-17-4-2-3-7-23(17)18/h5-6,12-13H,2-4,7-11H2,1H3,(H,21,24)
• InChIKey: IHEYCEYOBYGUFU-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-{5H,6H,7H,8H-imidazo[1,2-a]pyridin-3-yl}-4-methoxy-3-(morpholin-4-yl)benzamide
• IUPAC传统名: N-{5H,6H,7H,8H-imidazo[1,2-a]pyridin-3-yl}-4-methoxy-3-(morpholin-4-yl)benzamide
• 别名: 4-methoxy-3-morpholin-4-yl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)benzamide

理论计算性质

JChem

• Acid pKa: 13.929339
• 质子受体: 5
• 质子供体: 1
• LogD (pH = 5.5): 1.1202946
• LogD (pH = 7.4): 1.7574481
• Log P: 1.7861362
• 摩尔折射率: 100.5996 cm^3
• 极化性: 37.24359 Å^3
• 极化表面积: 68.62 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: 4
• 质子供体: 1
• Log P: 1.37
• LOG S: -2.97
• 极化表面积: 68.62 Å^2
• 可自由旋转的化学键: 4