4-[1-(1-{4H,5H,6H,7H-pyrazolo[1,5-a]pyridine-3-carbonyl}piperidin-4-yl)ethyl]morpholine

• ChemBase编号: 756826
• 分子式: C19H30N4O2
• 平均质量: 346.4671
• 单一同位素质量: 346.23687622
• SMILES: c1(C(=O)N2CCC(C(N3CCOCC3)C)CC2)c2n(nc1)CCCC2
• Canonical SMILES: CC(N1CCOCC1)C1CCN(CC1)C(=O)c1cnn2c1CCCC2
• InChI: InChI=1S/C19H30N4O2/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/h14-16H,2-13H2,1H3
• InChIKey: JOWIDRDXJJCRBY-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 4-[1-(1-{4H,5H,6H,7H-pyrazolo[1,5-a]pyridine-3-carbonyl}piperidin-4-yl)ethyl]morpholine
• IUPAC传统名: 4-[1-(1-{4H,5H,6H,7H-pyrazolo[1,5-a]pyridine-3-carbonyl}piperidin-4-yl)ethyl]morpholine
• 别名: 3-({4-[1-(4-morpholinyl)ethyl]-1-piperidinyl}carbonyl)-4,5,6,7-tetrahydropyrazolo[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): -1.5148661
• LogD (pH = 7.4): 0.2585811
• Log P: 1.0776993
• 摩尔折射率: 110.1387 cm^3
• 极化性: 37.482395 Å^3
• 极化表面积: 50.6 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: 0.43
• LOG S: -2.09
• 极化表面积: 50.6 Å^2
• 可自由旋转的化学键: 3