6-chloro-N,N-dimethyl-3-({[2-(propan-2-yloxy)ethyl]amino}methyl)imidazo[1,2-a]pyridine-2-carboxamide

• ChemBase编号: 864633
• 分子式: C16H23ClN4O2
• 平均质量: 338.83242
• 单一同位素质量: 338.15095368
• SMILES: c1(nc2n(c1CNCCOC(C)C)cc(cc2)Cl)C(=O)N(C)C
• Canonical SMILES: CC(OCCNCc1c(nc2n1cc(Cl)cc2)C(=O)N(C)C)C
• InChI: InChI=1S/C16H23ClN4O2/c1-11(2)23-8-7-18-9-13-15(16(22)20(3)4)19-14-6-5-12(17)10-21(13)14/h5-6,10-11,18H,7-9H2,1-4H3
• InChIKey: DURYFRPSXRUYTI-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 6-chloro-N,N-dimethyl-3-({[2-(propan-2-yloxy)ethyl]amino}methyl)imidazo[1,2-a]pyridine-2-carboxamide
• IUPAC传统名: 6-chloro-3-{[(2-isopropoxyethyl)amino]methyl}-N,N-dimethylimidazo[1,2-a]pyridine-2-carboxamide
• 别名: 6-chloro-3-{[(2-isopropoxyethyl)amino]methyl}-N,N-dimethylimidazo[1,2-a]pyridine-2-carboxamide

理论计算性质

JChem

• 质子受体: 4
• 质子供体: 1
• LogD (pH = 5.5): -1.1960279
• LogD (pH = 7.4): 0.53803635
• Log P: 1.2521943
• 摩尔折射率: 92.5774 cm^3
• 极化性: 34.98012 Å^3
• 极化表面积: 58.87 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: 5
• 质子供体: 1
• Log P: 0.97
• LOG S: -3.37
• 极化表面积: 58.87 Å^2
• 可自由旋转的化学键: 6