4-[(1-{3-fluoro-7-methylimidazo[1,2-a]pyridine-2-carbonyl}piperidin-2-yl)methyl]morpholine

• ChemBase编号: 569097
• 分子式: C19H25FN4O2
• 平均质量: 360.4258032
• 单一同位素质量: 360.19615428
• SMILES: c1(nc2n(c1F)ccc(c2)C)C(=O)N1C(CN2CCOCC2)CCCC1
• Canonical SMILES: Cc1ccn2c(c1)nc(c2F)C(=O)N1CCCCC1CN1CCOCC1
• InChI: InChI=1S/C19H25FN4O2/c1-14-5-7-24-16(12-14)21-17(18(24)20)19(25)23-6-3-2-4-15(23)13-22-8-10-26-11-9-22/h5,7,12,15H,2-4,6,8-11,13H2,1H3
• InChIKey: AVOPKWDOUMMKNT-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 4-[(1-{3-fluoro-7-methylimidazo[1,2-a]pyridine-2-carbonyl}piperidin-2-yl)methyl]morpholine
• IUPAC传统名: 4-[(1-{3-fluoro-7-methylimidazo[1,2-a]pyridine-2-carbonyl}piperidin-2-yl)methyl]morpholine
• 别名: 3-fluoro-7-methyl-2-{[2-(4-morpholinylmethyl)-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): 0.6962689
• LogD (pH = 7.4): 1.651563
• Log P: 1.6985569
• 摩尔折射率: 98.5541 cm^3
• 极化性: 36.77278 Å^3
• 极化表面积: 50.08 Å^2
• 可自由旋转的化学键: 3
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 4
• 质子供体: 0
• Log P: 0.67
• LOG S: -2.4
• 极化表面积: 50.08 Å^2
• 可自由旋转的化学键: 3