2,N3,N3-trimethyl-N7-(quinolin-7-yl)-5H,6H,7H,8H-imidazo[1,2-a]pyrazine-3,7-dicarboxamide

• ChemBase ID: 778855
• Molecular Formular: C20H22N6O2
• Molecular Mass: 378.42768
• Monoisotopic Mass: 378.18042397
• SMILES: c1(n2c(nc1C)CN(C(=O)Nc1cc3ncccc3cc1)CC2)C(=O)N(C)C
• Canonical SMILES: O=C(N1CCn2c(C1)nc(c2C(=O)N(C)C)C)Nc1ccc2c(c1)nccc2
• InChI: InChI=1S/C20H22N6O2/c1-13-18(19(27)24(2)3)26-10-9-25(12-17(26)22-13)20(28)23-15-7-6-14-5-4-8-21-16(14)11-15/h4-8,11H,9-10,12H2,1-3H3,(H,23,28)
• InChIKey: TVMPEWQRZOKUOD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,N3,N3-trimethyl-N7-(quinolin-7-yl)-5H,6H,7H,8H-imidazo[1,2-a]pyrazine-3,7-dicarboxamide
• IUPAC Traditional name: 2,N3,N3-trimethyl-N7-(quinolin-7-yl)-5H,6H,8H-imidazo[1,2-a]pyrazine-3,7-dicarboxamide
• Synonyms: N~3~,N~3~,2-trimethyl-N~7~-quinolin-7-yl-5,6-dihydroimidazo[1,2-a]pyrazine-3,7(8H)-dicarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.096188
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.52933973
• LogD (pH = 7.4): 0.56266695
• Log P: 0.5631018
• Molar Refractivity: 106.4753 cm^3
• Polarizability: 40.604485 Å^3
• Polar Surface Area: 83.36 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: -0.05
• LOG S: -3.23
• Polar Surface Area: 83.36 Å^2
• Rotatable Bonds: 2