N,N,2-trimethyl-7-(3-methyl-1-propyl-1H-pyrazole-4-carbonyl)-5H,6H,7H,8H-imidazo[1,2-a]pyrazine-3-carboxamide

• ChemBase编号: 850157
• 分子式: C18H26N6O2
• 平均质量: 358.43804
• 单一同位素质量: 358.2117241
• SMILES: c1(n2c(nc1C)CN(C(=O)c1c(nn(c1)CCC)C)CC2)C(=O)N(C)C
• Canonical SMILES: CCCn1nc(c(c1)C(=O)N1CCn2c(C1)nc(c2C(=O)N(C)C)C)C
• InChI: InChI=1S/C18H26N6O2/c1-6-7-23-10-14(12(2)20-23)17(25)22-8-9-24-15(11-22)19-13(3)16(24)18(26)21(4)5/h10H,6-9,11H2,1-5H3
• InChIKey: KNAOIRRVINHKFR-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N,N,2-trimethyl-7-(3-methyl-1-propyl-1H-pyrazole-4-carbonyl)-5H,6H,7H,8H-imidazo[1,2-a]pyrazine-3-carboxamide
• IUPAC传统名: N,N,2-trimethyl-7-(3-methyl-1-propylpyrazole-4-carbonyl)-5H,6H,8H-imidazo[1,2-a]pyrazine-3-carboxamide
• 别名: N,N,2-trimethyl-7-[(3-methyl-1-propyl-1H-pyrazol-4-yl)carbonyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-3-carboxamide

理论计算性质

JChem

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): -0.22850236
• LogD (pH = 7.4): -0.20976128
• Log P: -0.2095168
• 摩尔折射率: 110.8602 cm^3
• 极化性: 36.725266 Å^3
• 极化表面积: 76.26 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: 0
• Log P: -0.98
• LOG S: -2.29
• 极化表面积: 76.26 Å^2
• 可自由旋转的化学键: 4