3-fluoro-6-methyl-N-(4-phenylbutyl)imidazo[1,2-a]pyridine-2-carboxamide

• ChemBase编号: 674390
• 分子式: C19H20FN3O
• 平均质量: 325.3800032
• 单一同位素质量: 325.1590405
• SMILES: c1(c(n2c(n1)ccc(c2)C)F)C(=O)NCCCCc1ccccc1
• Canonical SMILES: Cc1ccc2n(c1)c(F)c(n2)C(=O)NCCCCc1ccccc1
• InChI: InChI=1S/C19H20FN3O/c1-14-10-11-16-22-17(18(20)23(16)13-14)19(24)21-12-6-5-9-15-7-3-2-4-8-15/h2-4,7-8,10-11,13H,5-6,9,12H2,1H3,(H,21,24)
• InChIKey: YXSNJWYXFSQAQZ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 3-fluoro-6-methyl-N-(4-phenylbutyl)imidazo[1,2-a]pyridine-2-carboxamide
• IUPAC传统名: 3-fluoro-6-methyl-N-(4-phenylbutyl)imidazo[1,2-a]pyridine-2-carboxamide
• 别名: 3-fluoro-6-methyl-N-(4-phenylbutyl)imidazo[1,2-a]pyridine-2-carboxamide

理论计算性质

JChem

• Acid pKa: 11.5865965
• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): 3.6667266
• LogD (pH = 7.4): 3.6668484
• Log P: 3.6668751
• 摩尔折射率: 93.3212 cm^3
• 极化性: 34.431583 Å^3
• 极化表面积: 46.4 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: 2
• 质子供体: 1
• Log P: 3.82
• LOG S: -4.83
• 极化表面积: 46.4 Å^2
• 可自由旋转的化学键: 6