7-(cyclopropylmethyl)-8-oxo-6-(thiophen-2-yl)-7H,8H-imidazo[1,2-a]pyrazine-2-carboxamide

• ChemBase ID: 345429
• Molecular Formular: C15H14N4O2S
• Molecular Mass: 314.36226
• Monoisotopic Mass: 314.08374671
• SMILES: n1(c(cn2c(nc(c2)C(=O)N)c1=O)c1sccc1)CC1CC1
• Canonical SMILES: NC(=O)c1cn2c(n1)c(=O)n(c(c2)c1cccs1)CC1CC1
• InChI: InChI=1S/C15H14N4O2S/c16-13(20)10-7-18-8-11(12-2-1-5-22-12)19(6-9-3-4-9)15(21)14(18)17-10/h1-2,5,7-9H,3-4,6H2,(H2,16,20)
• InChIKey: BPRQEWYMVBKRDJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-(cyclopropylmethyl)-8-oxo-6-(thiophen-2-yl)-7H,8H-imidazo[1,2-a]pyrazine-2-carboxamide
• IUPAC Traditional name: 7-(cyclopropylmethyl)-8-oxo-6-(thiophen-2-yl)imidazo[1,2-a]pyrazine-2-carboxamide
• Synonyms: 7-(cyclopropylmethyl)-8-oxo-6-(2-thienyl)-7,8-dihydroimidazo[1,2-a]pyrazine-2-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.476909
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.1685828
• LogD (pH = 7.4): 1.1685832
• Log P: 1.1685829
• Molar Refractivity: 82.8885 cm^3
• Polarizability: 30.649046 Å^3
• Polar Surface Area: 81.22 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 1.07
• LOG S: -2.41
• Polar Surface Area: 82.39 Å^2
• Rotatable Bonds: 4