N-cyclohexyl-6-methyl-N-[(1-methyl-1H-pyrazol-4-yl)methyl]imidazo[1,2-a]pyridine-2-carboxamide

• ChemBase编号: 790411
• 分子式: C20H25N5O
• 平均质量: 351.4454
• 单一同位素质量: 351.20591045
• SMILES: c1(nc2n(c1)cc(cc2)C)C(=O)N(Cc1cn(nc1)C)C1CCCCC1
• Canonical SMILES: Cc1ccc2n(c1)cc(n2)C(=O)N(C1CCCCC1)Cc1cnn(c1)C
• InChI: InChI=1S/C20H25N5O/c1-15-8-9-19-22-18(14-24(19)11-15)20(26)25(17-6-4-3-5-7-17)13-16-10-21-23(2)12-16/h8-12,14,17H,3-7,13H2,1-2H3
• InChIKey: ODUVBCJITPJYIL-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-cyclohexyl-6-methyl-N-[(1-methyl-1H-pyrazol-4-yl)methyl]imidazo[1,2-a]pyridine-2-carboxamide
• IUPAC传统名: N-cyclohexyl-6-methyl-N-[(1-methylpyrazol-4-yl)methyl]imidazo[1,2-a]pyridine-2-carboxamide
• 别名: N-cyclohexyl-6-methyl-N-[(1-methyl-1H-pyrazol-4-yl)methyl]imidazo[1,2-a]pyridine-2-carboxamide

理论计算性质

JChem

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 2.8994567
• LogD (pH = 7.4): 2.9083033
• Log P: 2.9084172
• 摩尔折射率: 114.0076 cm^3
• 极化性: 38.21323 Å^3
• 极化表面积: 55.43 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 3
• 质子供体: 0
• Log P: 2.22
• LOG S: -3.66
• 极化表面积: 55.43 Å^2
• 可自由旋转的化学键: 4