N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-3-fluoro-6-methylimidazo[1,2-a]pyridine-2-carboxamide

• ChemBase编号: 786485
• 分子式: C19H16ClF2N3O
• 平均质量: 375.7996464
• 单一同位素质量: 375.09499627
• SMILES: c1(c(n2c(n1)ccc(c2)C)F)C(=O)N(Cc1c(F)cccc1Cl)C1CC1
• Canonical SMILES: Cc1ccc2n(c1)c(F)c(n2)C(=O)N(C1CC1)Cc1c(F)cccc1Cl
• InChI: InChI=1S/C19H16ClF2N3O/c1-11-5-8-16-23-17(18(22)25(16)9-11)19(26)24(12-6-7-12)10-13-14(20)3-2-4-15(13)21/h2-5,8-9,12H,6-7,10H2,1H3
• InChIKey: MIVUQSNQTOFMOQ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-3-fluoro-6-methylimidazo[1,2-a]pyridine-2-carboxamide
• IUPAC传统名: N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-3-fluoro-6-methylimidazo[1,2-a]pyridine-2-carboxamide
• 别名: N-(2-chloro-6-fluorobenzyl)-N-cyclopropyl-3-fluoro-6-methylimidazo[1,2-a]pyridine-2-carboxamide

理论计算性质

JChem

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 3.9249187
• LogD (pH = 7.4): 3.9250622
• Log P: 3.9250638
• 摩尔折射率: 96.4933 cm^3
• 极化性: 35.430748 Å^3
• 极化表面积: 37.61 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: 2
• 质子供体: 0
• Log P: 2.67
• LOG S: -4.22
• 极化表面积: 37.61 Å^2
• 可自由旋转的化学键: 4