methyl({[8-methyl-2-(morpholine-4-carbonyl)imidazo[1,2-a]pyridin-3-yl]methyl})(pyrazin-2-ylmethyl)amine

• ChemBase编号: 655531
• 分子式: C20H24N6O2
• 平均质量: 380.44356
• 单一同位素质量: 380.19607404
• SMILES: c1(c(n2c(n1)c(ccc2)C)CN(Cc1nccnc1)C)C(=O)N1CCOCC1
• Canonical SMILES: CN(Cc1c(nc2n1cccc2C)C(=O)N1CCOCC1)Cc1cnccn1
• InChI: InChI=1S/C20H24N6O2/c1-15-4-3-7-26-17(14-24(2)13-16-12-21-5-6-22-16)18(23-19(15)26)20(27)25-8-10-28-11-9-25/h3-7,12H,8-11,13-14H2,1-2H3
• InChIKey: LNQYBPLTVJJVHH-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: methyl({[8-methyl-2-(morpholine-4-carbonyl)imidazo[1,2-a]pyridin-3-yl]methyl})(pyrazin-2-ylmethyl)amine
• IUPAC传统名: methyl({[8-methyl-2-(morpholine-4-carbonyl)imidazo[1,2-a]pyridin-3-yl]methyl})(pyrazin-2-ylmethyl)amine
• 别名: N-methyl-1-[8-methyl-2-(morpholin-4-ylcarbonyl)imidazo[1,2-a]pyridin-3-yl]-N-(pyrazin-2-ylmethyl)methanamine

理论计算性质

JChem

• 质子受体: 6
• 质子供体: 0
• LogD (pH = 5.5): -0.44722298
• LogD (pH = 7.4): -0.038426463
• Log P: -0.029688843
• 摩尔折射率: 106.7487 cm^3
• 极化性: 40.08358 Å^3
• 极化表面积: 75.86 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: 6
• 质子供体: 0
• Log P: -0.97
• LOG S: -2.46
• 极化表面积: 75.86 Å^2
• 可自由旋转的化学键: 5