methyl({2-methylimidazo[1,2-a]pyridin-3-yl}methyl){[2-(morpholine-4-carbonyl)imidazo[1,2-a]pyridin-3-yl]methyl}amine

• ChemBase编号: 433841
• 分子式: C23H26N6O2
• 平均质量: 418.49154
• 单一同位素质量: 418.2117241
• SMILES: c1(c(n2c(n1)cccc2)CN(Cc1n2c(nc1C)cccc2)C)C(=O)N1CCOCC1
• Canonical SMILES: CN(Cc1c(C)nc2n1cccc2)Cc1c(nc2n1cccc2)C(=O)N1CCOCC1
• InChI: InChI=1S/C23H26N6O2/c1-17-18(28-9-5-3-7-20(28)24-17)15-26(2)16-19-22(23(30)27-11-13-31-14-12-27)25-21-8-4-6-10-29(19)21/h3-10H,11-16H2,1-2H3
• InChIKey: ZPESDFRRXIUIQW-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: methyl({2-methylimidazo[1,2-a]pyridin-3-yl}methyl){[2-(morpholine-4-carbonyl)imidazo[1,2-a]pyridin-3-yl]methyl}amine
• IUPAC传统名: methyl({2-methylimidazo[1,2-a]pyridin-3-yl}methyl){[2-(morpholine-4-carbonyl)imidazo[1,2-a]pyridin-3-yl]methyl}amine
• 别名: N-methyl-1-(2-methylimidazo[1,2-a]pyridin-3-yl)-N-{[2-(4-morpholinylcarbonyl)imidazo[1,2-a]pyridin-3-yl]methyl}methanamine

理论计算性质

JChem

• 质子受体: 5
• 质子供体: 0
• LogD (pH = 5.5): -1.0961028
• LogD (pH = 7.4): 0.47379526
• Log P: 0.6484376
• 摩尔折射率: 120.8909 cm^3
• 极化性: 44.824905 Å^3
• 极化表面积: 67.38 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: 7
• 质子供体: 0
• Log P: 1.07
• LOG S: -1.91
• 极化表面积: 67.38 Å^2
• 可自由旋转的化学键: 5