N-(5-oxo-1-propylpyrrolidin-3-yl)-5H,6H,7H,8H-imidazo[1,2-a]pyrazine-2-carboxamide

• ChemBase编号: 453515
• 分子式: C14H21N5O2
• 平均质量: 291.34884
• 单一同位素质量: 291.16952494
• SMILES: c1(nc2n(c1)CCNC2)C(=O)NC1CC(=O)N(C1)CCC
• Canonical SMILES: CCCN1CC(CC1=O)NC(=O)c1cn2c(n1)CNCC2
• InChI: InChI=1S/C14H21N5O2/c1-2-4-19-8-10(6-13(19)20)16-14(21)11-9-18-5-3-15-7-12(18)17-11/h9-10,15H,2-8H2,1H3,(H,16,21)
• InChIKey: NXSYOWFBARBMPF-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-(5-oxo-1-propylpyrrolidin-3-yl)-5H,6H,7H,8H-imidazo[1,2-a]pyrazine-2-carboxamide
• IUPAC传统名: N-(5-oxo-1-propylpyrrolidin-3-yl)-5H,6H,7H,8H-imidazo[1,2-a]pyrazine-2-carboxamide
• 别名: N-(5-oxo-1-propyl-3-pyrrolidinyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carboxamide

理论计算性质

JChem

• Acid pKa: 14.396548
• 质子受体: 4
• 质子供体: 2
• LogD (pH = 5.5): -1.989271
• LogD (pH = 7.4): -0.9394639
• Log P: -0.8784131
• 摩尔折射率: 77.492 cm^3
• 极化性: 29.646626 Å^3
• 极化表面积: 79.26 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 4
• 质子供体: 2
• Log P: -1.12
• LOG S: -1.68
• 极化表面积: 79.26 Å^2
• 可自由旋转的化学键: 4