2-{2-methylimidazo[1,2-a]pyridin-3-yl}-N-{[2-(morpholin-4-yl)pyridin-3-yl]methyl}acetamide

• ChemBase编号: 565090
• 分子式: C20H23N5O2
• 平均质量: 365.42892
• 单一同位素质量: 365.185175
• SMILES: n12c(c(nc1cccc2)C)CC(=O)NCc1c(N2CCOCC2)nccc1
• Canonical SMILES: O=C(Cc1c(C)nc2n1cccc2)NCc1cccnc1N1CCOCC1
• InChI: InChI=1S/C20H23N5O2/c1-15-17(25-8-3-2-6-18(25)23-15)13-19(26)22-14-16-5-4-7-21-20(16)24-9-11-27-12-10-24/h2-8H,9-14H2,1H3,(H,22,26)
• InChIKey: FNXZEHKWAIPKSK-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-{2-methylimidazo[1,2-a]pyridin-3-yl}-N-{[2-(morpholin-4-yl)pyridin-3-yl]methyl}acetamide
• IUPAC传统名: 2-{2-methylimidazo[1,2-a]pyridin-3-yl}-N-{[2-(morpholin-4-yl)pyridin-3-yl]methyl}acetamide
• 别名: 2-(2-methylimidazo[1,2-a]pyridin-3-yl)-N-[(2-morpholin-4-ylpyridin-3-yl)methyl]acetamide

理论计算性质

JChem

• Acid pKa: 15.193891
• 质子受体: 5
• 质子供体: 1
• LogD (pH = 5.5): -0.53003055
• LogD (pH = 7.4): 0.80841917
• Log P: 0.8562041
• 摩尔折射率: 104.7042 cm^3
• 极化性: 38.950413 Å^3
• 极化表面积: 71.76 Å^2
• 可自由旋转的化学键: 5
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 4
• 质子供体: 1
• Log P: 0.18
• LOG S: -3.33
• 极化表面积: 71.76 Å^2
• 可自由旋转的化学键: 5