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

• ChemBase编号: 443212
• 分子式: C20H21FN4O
• 平均质量: 352.4053432
• 单一同位素质量: 352.16993953
• SMILES: c1(C(=O)N(C2CCNCC2)C)cn2c(nc(c2)c2ccc(cc2)F)cc1
• Canonical SMILES: Fc1ccc(cc1)c1cn2c(n1)ccc(c2)C(=O)N(C1CCNCC1)C
• InChI: InChI=1S/C20H21FN4O/c1-24(17-8-10-22-11-9-17)20(26)15-4-7-19-23-18(13-25(19)12-15)14-2-5-16(21)6-3-14/h2-7,12-13,17,22H,8-11H2,1H3
• InChIKey: ANGNQCHZXKYZMN-UHFFFAOYSA-N

名称和登记号

名称

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

理论计算性质

JChem

• 质子受体: 3
• 质子供体: 1
• LogD (pH = 5.5): -1.5319895
• LogD (pH = 7.4): -0.66120803
• Log P: 1.8770777
• 摩尔折射率: 99.9452 cm^3
• 极化性: 38.562267 Å^3
• 极化表面积: 49.64 Å^2
• 可自由旋转的化学键: 3
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 3
• 质子供体: 1
• Log P: 1.57
• LOG S: -3.11
• 极化表面积: 49.64 Å^2
• 可自由旋转的化学键: 3