N-[2-(5-methylfuran-2-yl)-2-(morpholin-4-yl)ethyl]-4H,5H,6H,7H-pyrazolo[1,5-a]pyridine-3-carboxamide

• ChemBase编号: 724838
• 分子式: C19H26N4O3
• 平均质量: 358.43474
• 单一同位素质量: 358.20049071
• SMILES: c1(c2n(nc1)CCCC2)C(=O)NCC(c1oc(cc1)C)N1CCOCC1
• Canonical SMILES: Cc1ccc(o1)C(N1CCOCC1)CNC(=O)c1cnn2c1CCCC2
• InChI: InChI=1S/C19H26N4O3/c1-14-5-6-18(26-14)17(22-8-10-25-11-9-22)13-20-19(24)15-12-21-23-7-3-2-4-16(15)23/h5-6,12,17H,2-4,7-11,13H2,1H3,(H,20,24)
• InChIKey: NJJOPVWKKUTHLD-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-[2-(5-methylfuran-2-yl)-2-(morpholin-4-yl)ethyl]-4H,5H,6H,7H-pyrazolo[1,5-a]pyridine-3-carboxamide
• IUPAC传统名: N-[2-(5-methylfuran-2-yl)-2-(morpholin-4-yl)ethyl]-4H,5H,6H,7H-pyrazolo[1,5-a]pyridine-3-carboxamide
• 别名: N-[2-(5-methyl-2-furyl)-2-morpholin-4-ylethyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide

理论计算性质

JChem

• Acid pKa: 13.692996
• 质子受体: 4
• 质子供体: 1
• LogD (pH = 5.5): 0.6889615
• LogD (pH = 7.4): 1.0067185
• Log P: 1.0127339
• 摩尔折射率: 110.3966 cm^3
• 极化性: 37.2501 Å^3
• 极化表面积: 72.53 Å^2
• 可自由旋转的化学键: 5
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 5
• 质子供体: 1
• Log P: 0.55
• LOG S: -2.28
• 极化表面积: 72.53 Å^2
• 可自由旋转的化学键: 5