N-ethyl-2-(4-fluorophenyl)-N-[(5-methylfuran-2-yl)methyl]imidazo[1,2-a]pyridine-6-carboxamide

• ChemBase编号: 478970
• 分子式: C22H20FN3O2
• 平均质量: 377.4115032
• 单一同位素质量: 377.15395512
• SMILES: c1(cn2c(nc(c2)c2ccc(cc2)F)cc1)C(=O)N(Cc1oc(cc1)C)CC
• Canonical SMILES: CCN(C(=O)c1ccc2n(c1)cc(n2)c1ccc(cc1)F)Cc1ccc(o1)C
• InChI: InChI=1S/C22H20FN3O2/c1-3-25(13-19-10-4-15(2)28-19)22(27)17-7-11-21-24-20(14-26(21)12-17)16-5-8-18(23)9-6-16/h4-12,14H,3,13H2,1-2H3
• InChIKey: MOEFTTISWPYCJY-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-ethyl-2-(4-fluorophenyl)-N-[(5-methylfuran-2-yl)methyl]imidazo[1,2-a]pyridine-6-carboxamide
• IUPAC传统名: N-ethyl-2-(4-fluorophenyl)-N-[(5-methylfuran-2-yl)methyl]imidazo[1,2-a]pyridine-6-carboxamide
• 别名: N-ethyl-2-(4-fluorophenyl)-N-[(5-methyl-2-furyl)methyl]imidazo[1,2-a]pyridine-6-carboxamide

理论计算性质

JChem

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 3.3863826
• LogD (pH = 7.4): 3.5714087
• Log P: 3.5744085
• 摩尔折射率: 106.6906 cm^3
• 极化性: 40.461666 Å^3
• 极化表面积: 50.75 Å^2
• 可自由旋转的化学键: 5
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 3
• 质子供体: 0
• Log P: 3.29
• LOG S: -4.76
• 极化表面积: 50.75 Å^2
• 可自由旋转的化学键: 5