4-[1-(1-{pyrazolo[1,5-a]pyridine-3-carbonyl}piperidin-4-yl)ethyl]morpholine

• ChemBase编号: 666097
• 分子式: C19H26N4O2
• 平均质量: 342.43534
• 单一同位素质量: 342.20557609
• SMILES: c1(c2n(nc1)cccc2)C(=O)N1CCC(C(N2CCOCC2)C)CC1
• Canonical SMILES: CC(N1CCOCC1)C1CCN(CC1)C(=O)c1cnn2c1cccc2
• InChI: InChI=1S/C19H26N4O2/c1-15(21-10-12-25-13-11-21)16-5-8-22(9-6-16)19(24)17-14-20-23-7-3-2-4-18(17)23/h2-4,7,14-16H,5-6,8-13H2,1H3
• InChIKey: BZQJFWGUZKOYQH-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 4-[1-(1-{pyrazolo[1,5-a]pyridine-3-carbonyl}piperidin-4-yl)ethyl]morpholine
• IUPAC传统名: 4-[1-(1-{pyrazolo[1,5-a]pyridine-3-carbonyl}piperidin-4-yl)ethyl]morpholine
• 别名: 3-({4-[1-(4-morpholinyl)ethyl]-1-piperidinyl}carbonyl)pyrazolo[1,5-a]pyridine

理论计算性质

JChem

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): -1.1058811
• LogD (pH = 7.4): 0.66753906
• Log P: 1.4866569
• 摩尔折射率: 108.6121 cm^3
• 极化性: 37.807262 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: 0.46
• LOG S: -2.09
• 极化表面积: 50.08 Å^2
• 可自由旋转的化学键: 3