6-chloro-N-[2-methoxy-1-(pyridin-2-yl)ethyl]-N,2-dimethylimidazo[1,2-a]pyridine-3-carboxamide

• ChemBase编号: 731836
• 分子式: C18H19ClN4O2
• 平均质量: 358.82206
• 单一同位素质量: 358.11965355
• SMILES: c1(n2c(nc1C)ccc(c2)Cl)C(=O)N(C(c1ncccc1)COC)C
• Canonical SMILES: COCC(N(C(=O)c1c(C)nc2n1cc(Cl)cc2)C)c1ccccn1
• InChI: InChI=1S/C18H19ClN4O2/c1-12-17(23-10-13(19)7-8-16(23)21-12)18(24)22(2)15(11-25-3)14-6-4-5-9-20-14/h4-10,15H,11H2,1-3H3
• InChIKey: JEXRFOVVSCTQCE-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 6-chloro-N-[2-methoxy-1-(pyridin-2-yl)ethyl]-N,2-dimethylimidazo[1,2-a]pyridine-3-carboxamide
• IUPAC传统名: 6-chloro-N-[2-methoxy-1-(pyridin-2-yl)ethyl]-N,2-dimethylimidazo[1,2-a]pyridine-3-carboxamide
• 别名: 6-chloro-N-(2-methoxy-1-pyridin-2-ylethyl)-N,2-dimethylimidazo[1,2-a]pyridine-3-carboxamide

理论计算性质

JChem

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 1.3927244
• LogD (pH = 7.4): 1.4652239
• Log P: 1.4662112
• 摩尔折射率: 96.8043 cm^3
• 极化性: 36.548256 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: 1.77
• LOG S: -2.03
• 极化表面积: 59.73 Å^2
• 可自由旋转的化学键: 5