N-({3-[2-(4-fluorophenyl)ethoxy]phenyl}methyl)-N-(pyridin-4-ylmethyl)imidazo[1,2-a]pyridine-2-carboxamide

• ChemBase编号: 371693
• 分子式: C29H25FN4O2
• 平均质量: 480.5328032
• 单一同位素质量: 480.19615428
• SMILES: c1(nc2n(c1)cccc2)C(=O)N(Cc1cc(OCCc2ccc(F)cc2)ccc1)Cc1ccncc1
• Canonical SMILES: Fc1ccc(cc1)CCOc1cccc(c1)CN(C(=O)c1nc2n(c1)cccc2)Cc1ccncc1
• InChI: InChI=1S/C29H25FN4O2/c30-25-9-7-22(8-10-25)13-17-36-26-5-3-4-24(18-26)20-34(19-23-11-14-31-15-12-23)29(35)27-21-33-16-2-1-6-28(33)32-27/h1-12,14-16,18,21H,13,17,19-20H2
• InChIKey: KWMDLMDIYRCQML-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-({3-[2-(4-fluorophenyl)ethoxy]phenyl}methyl)-N-(pyridin-4-ylmethyl)imidazo[1,2-a]pyridine-2-carboxamide
• IUPAC传统名: N-({3-[2-(4-fluorophenyl)ethoxy]phenyl}methyl)-N-(pyridin-4-ylmethyl)imidazo[1,2-a]pyridine-2-carboxamide
• 别名: N-{3-[2-(4-fluorophenyl)ethoxy]benzyl}-N-(4-pyridinylmethyl)imidazo[1,2-a]pyridine-2-carboxamide

理论计算性质

JChem

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 4.5587626
• LogD (pH = 7.4): 4.671155
• Log P: 4.672831
• 摩尔折射率: 137.5517 cm^3
• 极化性: 51.618473 Å^3
• 极化表面积: 59.73 Å^2
• 可自由旋转的化学键: 9
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 5
• 质子供体: 0
• Log P: 3.99
• LOG S: -6.68
• 极化表面积: 59.73 Å^2
• 可自由旋转的化学键: 9