7-(2-phenylbenzoyl)-5H,6H,7H,8H-imidazo[1,2-a]pyrazine-3-carboxamide

• ChemBase ID: 821235
• Molecular Formular: C20H18N4O2
• Molecular Mass: 346.38252
• Monoisotopic Mass: 346.14297584
• SMILES: c1(n2c(nc1)CN(C(=O)c1c(c3ccccc3)cccc1)CC2)C(=O)N
• Canonical SMILES: O=C(c1ccccc1c1ccccc1)N1CCn2c(C1)ncc2C(=O)N
• InChI: InChI=1S/C20H18N4O2/c21-19(25)17-12-22-18-13-23(10-11-24(17)18)20(26)16-9-5-4-8-15(16)14-6-2-1-3-7-14/h1-9,12H,10-11,13H2,(H2,21,25)
• InChIKey: OFPCTQHXWZTZKI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-(2-phenylbenzoyl)-5H,6H,7H,8H-imidazo[1,2-a]pyrazine-3-carboxamide
• IUPAC Traditional name: 7-(2-phenylbenzoyl)-5H,6H,8H-imidazo[1,2-a]pyrazine-3-carboxamide
• Synonyms: 7-(biphenyl-2-ylcarbonyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.8725605
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.3919047
• LogD (pH = 7.4): 1.4200525
• Log P: 1.4204257
• Molar Refractivity: 98.844 cm^3
• Polarizability: 38.14641 Å^3
• Polar Surface Area: 81.22 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.14
• LOG S: -3.55
• Polar Surface Area: 81.22 Å^2
• Rotatable Bonds: 3