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

• ChemBase编号: 724681
• 分子式: C19H25N5O3
• 平均质量: 371.4335
• 单一同位素质量: 371.19573969
• SMILES: c1(n2c(nc1C)CN(C(=O)CCn1c(=O)cccc1C)CC2)C(=O)N(C)C
• Canonical SMILES: O=C(N1CCn2c(C1)nc(c2C(=O)N(C)C)C)CCn1c(C)cccc1=O
• InChI: InChI=1S/C19H25N5O3/c1-13-6-5-7-17(26)23(13)9-8-16(25)22-10-11-24-15(12-22)20-14(2)18(24)19(27)21(3)4/h5-7H,8-12H2,1-4H3
• InChIKey: UTXKZOJYOMSFTL-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N,N,2-trimethyl-7-[3-(6-methyl-2-oxo-1,2-dihydropyridin-1-yl)propanoyl]-5H,6H,7H,8H-imidazo[1,2-a]pyrazine-3-carboxamide
• IUPAC传统名: N,N,2-trimethyl-7-[3-(2-methyl-6-oxopyridin-1-yl)propanoyl]-5H,6H,8H-imidazo[1,2-a]pyrazine-3-carboxamide
• 别名: N,N,2-trimethyl-7-[3-(6-methyl-2-oxopyridin-1(2H)-yl)propanoyl]-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): -1.1401626
• LogD (pH = 7.4): -1.1215423
• Log P: -1.1212994
• 摩尔折射率: 104.3236 cm^3
• 极化性: 38.053795 Å^3
• 极化表面积: 78.75 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: -1.09
• LOG S: -2.29
• 极化表面积: 80.44 Å^2
• 可自由旋转的化学键: 4