3-{imidazo[1,2-a]pyridin-2-yl}-N-[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]-N-methylpropanamide

• ChemBase编号: 319096
• 分子式: C20H24N4O2
• 平均质量: 352.43016
• 单一同位素质量: 352.18992603
• SMILES: n12c(nc(c1)CCC(=O)N(Cc1c(c(c(cn1)C)OC)C)C)cccc2
• Canonical SMILES: COc1c(C)cnc(c1C)CN(C(=O)CCc1nc2n(c1)cccc2)C
• InChI: InChI=1S/C20H24N4O2/c1-14-11-21-17(15(2)20(14)26-4)13-23(3)19(25)9-8-16-12-24-10-6-5-7-18(24)22-16/h5-7,10-12H,8-9,13H2,1-4H3
• InChIKey: JOMCZZNOJPLJNB-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 3-{imidazo[1,2-a]pyridin-2-yl}-N-[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]-N-methylpropanamide
• IUPAC传统名: 3-{imidazo[1,2-a]pyridin-2-yl}-N-[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]-N-methylpropanamide
• 别名: 3-imidazo[1,2-a]pyridin-2-yl-N-[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]-N-methylpropanamide

理论计算性质

JChem

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 0.12348798
• LogD (pH = 7.4): 1.729349
• Log P: 1.813636
• 摩尔折射率: 101.5159 cm^3
• 极化性: 38.440773 Å^3
• 极化表面积: 59.73 Å^2
• 可自由旋转的化学键: 6
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 4
• 质子供体: 0
• Log P: 1.77
• LOG S: -3.28
• 极化表面积: 59.73 Å^2
• 可自由旋转的化学键: 6