N-[(4-fluorophenyl)methyl]-N-methyl-2-phenylimidazo[1,2-a]pyridine-6-carboxamide

• ChemBase编号: 346792
• 分子式: C22H18FN3O
• 平均质量: 359.3962232
• 单一同位素质量: 359.14339043
• SMILES: c1(cn2c(nc(c2)c2ccccc2)cc1)C(=O)N(Cc1ccc(F)cc1)C
• Canonical SMILES: Fc1ccc(cc1)CN(C(=O)c1ccc2n(c1)cc(n2)c1ccccc1)C
• InChI: InChI=1S/C22H18FN3O/c1-25(13-16-7-10-19(23)11-8-16)22(27)18-9-12-21-24-20(15-26(21)14-18)17-5-3-2-4-6-17/h2-12,14-15H,13H2,1H3
• InChIKey: MJMJOMUMXRVACK-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-[(4-fluorophenyl)methyl]-N-methyl-2-phenylimidazo[1,2-a]pyridine-6-carboxamide
• IUPAC传统名: N-[(4-fluorophenyl)methyl]-N-methyl-2-phenylimidazo[1,2-a]pyridine-6-carboxamide
• 别名: N-(4-fluorobenzyl)-N-methyl-2-phenylimidazo[1,2-a]pyridine-6-carboxamide

理论计算性质

JChem

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 3.7699037
• LogD (pH = 7.4): 3.9547956
• Log P: 3.9577925
• 摩尔折射率: 104.4014 cm^3
• 极化性: 39.99834 Å^3
• 极化表面积: 37.61 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: 2
• 质子供体: 0
• Log P: 3.26
• LOG S: -4.61
• 极化表面积: 37.61 Å^2
• 可自由旋转的化学键: 4