2-[methyl({[8-methyl-2-(morpholine-4-carbonyl)imidazo[1,2-a]pyridin-3-yl]methyl})amino]ethan-1-ol

• ChemBase编号: 507453
• 分子式: C17H24N4O3
• 平均质量: 332.39746
• 单一同位素质量: 332.18484065
• SMILES: c1(c(n2c(n1)c(ccc2)C)CN(CCO)C)C(=O)N1CCOCC1
• Canonical SMILES: OCCN(Cc1c(nc2n1cccc2C)C(=O)N1CCOCC1)C
• InChI: InChI=1S/C17H24N4O3/c1-13-4-3-5-21-14(12-19(2)6-9-22)15(18-16(13)21)17(23)20-7-10-24-11-8-20/h3-5,22H,6-12H2,1-2H3
• InChIKey: BGCPMORSNKMCOE-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-[methyl({[8-methyl-2-(morpholine-4-carbonyl)imidazo[1,2-a]pyridin-3-yl]methyl})amino]ethan-1-ol
• IUPAC传统名: 2-[methyl({[8-methyl-2-(morpholine-4-carbonyl)imidazo[1,2-a]pyridin-3-yl]methyl})amino]ethanol
• 别名: 2-(methyl{[8-methyl-2-(morpholin-4-ylcarbonyl)imidazo[1,2-a]pyridin-3-yl]methyl}amino)ethanol

理论计算性质

JChem

• Acid pKa: 15.593103
• 质子受体: 5
• 质子供体: 1
• LogD (pH = 5.5): -2.1130388
• LogD (pH = 7.4): -0.46264905
• Log P: -0.09039101
• 摩尔折射率: 93.2644 cm^3
• 极化性: 34.757183 Å^3
• 极化表面积: 70.31 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: 5
• 质子供体: 1
• Log P: -0.6
• LOG S: -2.42
• 极化表面积: 70.31 Å^2
• 可自由旋转的化学键: 5