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

• ChemBase编号: 635011
• 分子式: C21H30N4O2
• 平均质量: 370.4885
• 单一同位素质量: 370.23687622
• SMILES: n12c(c(nc1cccc2)C)CC(=O)NCC1(N2CCOCC2)CCCCC1
• Canonical SMILES: O=C(Cc1c(C)nc2n1cccc2)NCC1(CCCCC1)N1CCOCC1
• InChI: InChI=1S/C21H30N4O2/c1-17-18(25-10-6-3-7-19(25)23-17)15-20(26)22-16-21(8-4-2-5-9-21)24-11-13-27-14-12-24/h3,6-7,10H,2,4-5,8-9,11-16H2,1H3,(H,22,26)
• InChIKey: ARCFDOASRLHJCY-UHFFFAOYSA-N

名称和登记号

名称

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

理论计算性质

JChem

• Acid pKa: 15.684641
• 质子受体: 4
• 质子供体: 1
• LogD (pH = 5.5): -1.2884811
• LogD (pH = 7.4): 0.99576503
• Log P: 1.3885858
• 摩尔折射率: 106.4293 cm^3
• 极化性: 40.95912 Å^3
• 极化表面积: 58.87 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: 1.59
• LOG S: -3.26
• 极化表面积: 58.87 Å^2
• 可自由旋转的化学键: 5