2-methyl-N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)imidazo[1,2-a]pyridine-6-carboxamide

• ChemBase编号: 474129
• 分子式: C20H22N4O2
• 平均质量: 350.41428
• 单一同位素质量: 350.17427596
• SMILES: c1(C(=O)N(Cc2ncccc2)CC2OCCC2)cn2c(nc(c2)C)cc1
• Canonical SMILES: Cc1cn2c(n1)ccc(c2)C(=O)N(Cc1ccccn1)CC1CCCO1
• InChI: InChI=1S/C20H22N4O2/c1-15-11-23-12-16(7-8-19(23)22-15)20(25)24(14-18-6-4-10-26-18)13-17-5-2-3-9-21-17/h2-3,5,7-9,11-12,18H,4,6,10,13-14H2,1H3
• InChIKey: UOSRQAMKTZODMP-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-methyl-N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)imidazo[1,2-a]pyridine-6-carboxamide
• IUPAC传统名: 2-methyl-N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)imidazo[1,2-a]pyridine-6-carboxamide
• 别名: 2-methyl-N-(pyridin-2-ylmethyl)-N-(tetrahydrofuran-2-ylmethyl)imidazo[1,2-a]pyridine-6-carboxamide

理论计算性质

JChem

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 0.52979463
• LogD (pH = 7.4): 1.1750522
• Log P: 1.1957736
• 摩尔折射率: 99.5879 cm^3
• 极化性: 37.59514 Å^3
• 极化表面积: 59.73 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: 0
• Log P: 0.42
• LOG S: -0.81
• 极化表面积: 59.73 Å^2
• 可自由旋转的化学键: 5