4-fluoro-1-[2-(4-fluorophenyl)imidazo[1,2-a]pyridine-6-carbonyl]piperidine

• ChemBase编号: 343697
• 分子式: C19H17F2N3O
• 平均质量: 341.3545864
• 单一同位素质量: 341.13396862
• SMILES: c1(C(=O)N2CCC(CC2)F)cn2c(nc(c2)c2ccc(cc2)F)cc1
• Canonical SMILES: FC1CCN(CC1)C(=O)c1ccc2n(c1)cc(n2)c1ccc(cc1)F
• InChI: InChI=1S/C19H17F2N3O/c20-15-4-1-13(2-5-15)17-12-24-11-14(3-6-18(24)22-17)19(25)23-9-7-16(21)8-10-23/h1-6,11-12,16H,7-10H2
• InChIKey: FARXVQAJQNYXLS-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 4-fluoro-1-[2-(4-fluorophenyl)imidazo[1,2-a]pyridine-6-carbonyl]piperidine
• IUPAC传统名: 4-fluoro-1-[2-(4-fluorophenyl)imidazo[1,2-a]pyridine-6-carbonyl]piperidine
• 别名: 2-(4-fluorophenyl)-6-[(4-fluoropiperidin-1-yl)carbonyl]imidazo[1,2-a]pyridine

理论计算性质

JChem

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 2.2535818
• LogD (pH = 7.4): 2.439454
• Log P: 2.4424708
• 摩尔折射率: 91.821 cm^3
• 极化性: 34.89677 Å^3
• 极化表面积: 37.61 Å^2
• 可自由旋转的化学键: 2
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 2
• 质子供体: 0
• Log P: 1.97
• LOG S: -3.37
• 极化表面积: 37.61 Å^2
• 可自由旋转的化学键: 2