6-chloro-3-fluoro-N-(2-methoxyethyl)-N-(pyridin-3-ylmethyl)imidazo[1,2-a]pyridine-2-carboxamide

• ChemBase编号: 573187
• 分子式: C17H16ClFN4O2
• 平均质量: 362.7859432
• 单一同位素质量: 362.09458167
• SMILES: c1(c(n2c(n1)ccc(c2)Cl)F)C(=O)N(Cc1cnccc1)CCOC
• Canonical SMILES: COCCN(C(=O)c1nc2n(c1F)cc(cc2)Cl)Cc1cccnc1
• InChI: InChI=1S/C17H16ClFN4O2/c1-25-8-7-22(10-12-3-2-6-20-9-12)17(24)15-16(19)23-11-13(18)4-5-14(23)21-15/h2-6,9,11H,7-8,10H2,1H3
• InChIKey: MMQVMBKYMOYVTI-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 6-chloro-3-fluoro-N-(2-methoxyethyl)-N-(pyridin-3-ylmethyl)imidazo[1,2-a]pyridine-2-carboxamide
• IUPAC传统名: 6-chloro-3-fluoro-N-(2-methoxyethyl)-N-(pyridin-3-ylmethyl)imidazo[1,2-a]pyridine-2-carboxamide
• 别名: 6-chloro-3-fluoro-N-(2-methoxyethyl)-N-(pyridin-3-ylmethyl)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): 1.4663987
• LogD (pH = 7.4): 1.5377178
• Log P: 1.5387281
• 摩尔折射率: 92.9111 cm^3
• 极化性: 34.527515 Å^3
• 极化表面积: 59.73 Å^2
• 可自由旋转的化学键: 6
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 4
• 质子供体: 0
• Log P: 0.81
• LOG S: -1.24
• 极化表面积: 59.73 Å^2
• 可自由旋转的化学键: 6