4-[2-(1-{3-fluoro-6-methylimidazo[1,2-a]pyridine-2-carbonyl}piperidin-2-yl)ethyl]morpholine

• ChemBase编号: 827795
• 分子式: C20H27FN4O2
• 平均质量: 374.4523832
• 单一同位素质量: 374.21180434
• SMILES: c1(c(n2c(n1)ccc(c2)C)F)C(=O)N1C(CCN2CCOCC2)CCCC1
• Canonical SMILES: Cc1ccc2n(c1)c(F)c(n2)C(=O)N1CCCCC1CCN1CCOCC1
• InChI: InChI=1S/C20H27FN4O2/c1-15-5-6-17-22-18(19(21)25(17)14-15)20(26)24-8-3-2-4-16(24)7-9-23-10-12-27-13-11-23/h5-6,14,16H,2-4,7-13H2,1H3
• InChIKey: SXSCHFFUWDYNEP-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 4-[2-(1-{3-fluoro-6-methylimidazo[1,2-a]pyridine-2-carbonyl}piperidin-2-yl)ethyl]morpholine
• IUPAC传统名: 4-[2-(1-{3-fluoro-6-methylimidazo[1,2-a]pyridine-2-carbonyl}piperidin-2-yl)ethyl]morpholine
• 别名: 3-fluoro-6-methyl-2-({2-[2-(4-morpholinyl)ethyl]-1-piperidinyl}carbonyl)imidazo[1,2-a]pyridine

理论计算性质

JChem

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 0.26432452
• LogD (pH = 7.4): 1.617461
• Log P: 1.7585167
• 摩尔折射率: 103.4195 cm^3
• 极化性: 38.604057 Å^3
• 极化表面积: 50.08 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: 4
• 质子供体: 0
• Log P: 1.02
• LOG S: -2.8
• 极化表面积: 50.08 Å^2
• 可自由旋转的化学键: 4