7-[3-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]-5H,6H,7H,8H-imidazo[1,2-a]pyrazine-3-carboxamide

• ChemBase ID: 678734
• Molecular Formular: C17H16N6O3
• Molecular Mass: 352.34734
• Monoisotopic Mass: 352.1283884
• SMILES: c1(n2c(nc1)CN(C(=O)c1cc(c3nc(on3)C)ccc1)CC2)C(=O)N
• Canonical SMILES: Cc1onc(n1)c1cccc(c1)C(=O)N1CCn2c(C1)ncc2C(=O)N
• InChI: InChI=1S/C17H16N6O3/c1-10-20-16(21-26-10)11-3-2-4-12(7-11)17(25)22-5-6-23-13(15(18)24)8-19-14(23)9-22/h2-4,7-8H,5-6,9H2,1H3,(H2,18,24)
• InChIKey: BLSCQQRYFCPTRA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-[3-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]-5H,6H,7H,8H-imidazo[1,2-a]pyrazine-3-carboxamide
• IUPAC Traditional name: 7-[3-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]-5H,6H,8H-imidazo[1,2-a]pyrazine-3-carboxamide
• Synonyms: 7-[3-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-3-carboxamide

CALCULATED PROPERTIES

JChem

• LogD (pH = 7.4): 0.0571066
• Log P: 0.057487406
• Molar Refractivity: 104.1757 cm^3
• Polarizability: 34.436634 Å^3
• Polar Surface Area: 120.14 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true
• Acid pKa: 13.8725605
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 0.0283782

供应商提供(Chembridge)

• Log P: 0.04
• LOG S: -3.11
• Polar Surface Area: 120.14 Å^2
• Rotatable Bonds: 3
• H Acceptors: 6
• H Donor: 1