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

• ChemBase编号: 608442
• 分子式: C20H23FN4O
• 平均质量: 354.4212232
• 单一同位素质量: 354.1855896
• SMILES: c1(cn2c(nc(c2)c2ccc(cc2)F)cc1)C(=O)N(CCN(C)C)CC
• Canonical SMILES: CCN(C(=O)c1ccc2n(c1)cc(n2)c1ccc(cc1)F)CCN(C)C
• InChI: InChI=1S/C20H23FN4O/c1-4-24(12-11-23(2)3)20(26)16-7-10-19-22-18(14-25(19)13-16)15-5-8-17(21)9-6-15/h5-10,13-14H,4,11-12H2,1-3H3
• InChIKey: WYWUWHXXBSNZSB-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-[2-(dimethylamino)ethyl]-N-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridine-6-carboxamide
• IUPAC传统名: N-[2-(dimethylamino)ethyl]-N-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridine-6-carboxamide
• 别名: N-[2-(dimethylamino)ethyl]-N-ethyl-2-(4-fluorophenyl)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): -0.43432957
• LogD (pH = 7.4): 1.5068232
• Log P: 2.608772
• 摩尔折射率: 102.5565 cm^3
• 极化性: 39.292034 Å^3
• 极化表面积: 40.85 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: 3
• 质子供体: 0
• Log P: 2.05
• LOG S: -3.54
• 极化表面积: 40.85 Å^2
• 可自由旋转的化学键: 6