4-[(1-{pyrazolo[1,5-a]pyridine-3-carbonyl}piperidin-2-yl)methyl]morpholine

• ChemBase编号: 532963
• 分子式: C18H24N4O2
• 平均质量: 328.40876
• 单一同位素质量: 328.18992603
• SMILES: c1(C(=O)N2C(CN3CCOCC3)CCCC2)c2n(nc1)cccc2
• Canonical SMILES: O=C(c1cnn2c1cccc2)N1CCCCC1CN1CCOCC1
• InChI: InChI=1S/C18H24N4O2/c23-18(16-13-19-22-8-4-2-6-17(16)22)21-7-3-1-5-15(21)14-20-9-11-24-12-10-20/h2,4,6,8,13,15H,1,3,5,7,9-12,14H2
• InChIKey: WZMNTEOYKGICFL-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 4-[(1-{pyrazolo[1,5-a]pyridine-3-carbonyl}piperidin-2-yl)methyl]morpholine
• IUPAC传统名: 4-[(1-{pyrazolo[1,5-a]pyridine-3-carbonyl}piperidin-2-yl)methyl]morpholine
• 别名: 3-{[2-(4-morpholinylmethyl)-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): 0.30239382
• LogD (pH = 7.4): 1.4351591
• Log P: 1.5114527
• 摩尔折射率: 103.7555 cm^3
• 极化性: 35.966408 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: 0.25
• LOG S: -3.12
• 极化表面积: 50.08 Å^2
• 可自由旋转的化学键: 3