N-(cyclopropylmethyl)-2-(4-fluorophenyl)-N-(2-methoxyethyl)imidazo[1,2-a]pyridine-6-carboxamide

• ChemBase编号: 795260
• 分子式: C21H22FN3O2
• 平均质量: 367.4166832
• 单一同位素质量: 367.16960518
• SMILES: c1(cn2c(nc(c2)c2ccc(cc2)F)cc1)C(=O)N(CC1CC1)CCOC
• Canonical SMILES: COCCN(C(=O)c1ccc2n(c1)cc(n2)c1ccc(cc1)F)CC1CC1
• InChI: InChI=1S/C21H22FN3O2/c1-27-11-10-24(12-15-2-3-15)21(26)17-6-9-20-23-19(14-25(20)13-17)16-4-7-18(22)8-5-16/h4-9,13-15H,2-3,10-12H2,1H3
• InChIKey: HCOWOFUZKZWGGA-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-(cyclopropylmethyl)-2-(4-fluorophenyl)-N-(2-methoxyethyl)imidazo[1,2-a]pyridine-6-carboxamide
• IUPAC传统名: N-(cyclopropylmethyl)-2-(4-fluorophenyl)-N-(2-methoxyethyl)imidazo[1,2-a]pyridine-6-carboxamide
• 别名: N-(cyclopropylmethyl)-2-(4-fluorophenyl)-N-(2-methoxyethyl)imidazo[1,2-a]pyridine-6-carboxamide

理论计算性质

JChem

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 2.7783318
• LogD (pH = 7.4): 2.9639103
• Log P: 2.9669213
• 摩尔折射率: 102.7743 cm^3
• 极化性: 39.570892 Å^3
• 极化表面积: 46.84 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: 3
• 质子供体: 0
• Log P: 2.27
• LOG S: -3.82
• 极化表面积: 46.84 Å^2
• 可自由旋转的化学键: 7