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

• ChemBase编号: 513800
• 分子式: C19H20FN3O2
• 平均质量: 341.3794032
• 单一同位素质量: 341.15395512
• SMILES: n12c(nc(c2)c2ccc(cc2)F)ccc(c1)C(=O)NCCOCCC
• Canonical SMILES: CCCOCCNC(=O)c1ccc2n(c1)cc(n2)c1ccc(cc1)F
• InChI: InChI=1S/C19H20FN3O2/c1-2-10-25-11-9-21-19(24)15-5-8-18-22-17(13-23(18)12-15)14-3-6-16(20)7-4-14/h3-8,12-13H,2,9-11H2,1H3,(H,21,24)
• InChIKey: QVQIWVMXLQPVNL-UHFFFAOYSA-N

名称和登记号

名称

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

理论计算性质

JChem

• Acid pKa: 14.212385
• 质子受体: 3
• 质子供体: 1
• LogD (pH = 5.5): 2.6501665
• LogD (pH = 7.4): 2.8389225
• Log P: 2.8419983
• 摩尔折射率: 95.2082 cm^3
• 极化性: 36.61693 Å^3
• 极化表面积: 55.63 Å^2
• 可自由旋转的化学键: 7
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 3
• 质子供体: 1
• Log P: 2.86
• LOG S: -4.13
• 极化表面积: 55.63 Å^2
• 可自由旋转的化学键: 7