2-(4-fluorophenyl)-N-(furan-3-ylmethyl)imidazo[1,2-a]pyridine-6-carboxamide

• ChemBase编号: 794727
• 分子式: C19H14FN3O2
• 平均质量: 335.3317632
• 单一同位素质量: 335.10700492
• SMILES: n12c(nc(c2)c2ccc(cc2)F)ccc(c1)C(=O)NCc1cocc1
• Canonical SMILES: Fc1ccc(cc1)c1cn2c(n1)ccc(c2)C(=O)NCc1cocc1
• InChI: InChI=1S/C19H14FN3O2/c20-16-4-1-14(2-5-16)17-11-23-10-15(3-6-18(23)22-17)19(24)21-9-13-7-8-25-12-13/h1-8,10-12H,9H2,(H,21,24)
• InChIKey: RXOYTYBXIWLZIT-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-(4-fluorophenyl)-N-(furan-3-ylmethyl)imidazo[1,2-a]pyridine-6-carboxamide
• IUPAC传统名: 2-(4-fluorophenyl)-N-(furan-3-ylmethyl)imidazo[1,2-a]pyridine-6-carboxamide
• 别名: 2-(4-fluorophenyl)-N-(3-furylmethyl)imidazo[1,2-a]pyridine-6-carboxamide

理论计算性质

JChem

• Acid pKa: 14.099582
• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): 2.6829152
• LogD (pH = 7.4): 2.871294
• Log P: 2.874362
• 摩尔折射率: 92.0181 cm^3
• 极化性: 35.017166 Å^3
• 极化表面积: 59.54 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: 3
• 质子供体: 1
• Log P: 3.04
• LOG S: -4.24
• 极化表面积: 59.54 Å^2
• 可自由旋转的化学键: 4