3-{imidazo[1,2-a]pyridin-2-yl}-N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)propanamide

• ChemBase编号: 537105
• 分子式: C21H24N4O2
• 平均质量: 364.44086
• 单一同位素质量: 364.18992603
• SMILES: n12c(nc(c1)CCC(=O)N(Cc1ncccc1)CC1OCCC1)cccc2
• Canonical SMILES: O=C(N(Cc1ccccn1)CC1CCCO1)CCc1nc2n(c1)cccc2
• InChI: InChI=1S/C21H24N4O2/c26-21(10-9-18-15-24-12-4-2-8-20(24)23-18)25(16-19-7-5-13-27-19)14-17-6-1-3-11-22-17/h1-4,6,8,11-12,15,19H,5,7,9-10,13-14,16H2
• InChIKey: MJWOKFUIHSOILI-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 3-{imidazo[1,2-a]pyridin-2-yl}-N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)propanamide
• IUPAC传统名: 3-{imidazo[1,2-a]pyridin-2-yl}-N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)propanamide
• 别名: 3-imidazo[1,2-a]pyridin-2-yl-N-(pyridin-2-ylmethyl)-N-(tetrahydrofuran-2-ylmethyl)propanamide

理论计算性质

JChem

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 0.6059918
• LogD (pH = 7.4): 1.335454
• Log P: 1.3630534
• 摩尔折射率: 103.225 cm^3
• 极化性: 39.72316 Å^3
• 极化表面积: 59.73 Å^2
• 可自由旋转的化学键: 7
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 4
• 质子供体: 0
• Log P: 1.31
• LOG S: -1.68
• 极化表面积: 59.73 Å^2
• 可自由旋转的化学键: 7