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

• ChemBase ID: 864600
• Molecular Formular: C12H14N6O3
• Molecular Mass: 290.27796
• Monoisotopic Mass: 290.11273834
• SMILES: c1(n2c(nc1)CN(C(=O)Cc1nonc1C)CC2)C(=O)N
• Canonical SMILES: O=C(N1CCn2c(C1)ncc2C(=O)N)Cc1nonc1C
• InChI: InChI=1S/C12H14N6O3/c1-7-8(16-21-15-7)4-11(19)17-2-3-18-9(12(13)20)5-14-10(18)6-17/h5H,2-4,6H2,1H3,(H2,13,20)
• InChIKey: UIUFVEPOMIQUKW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.872585
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -2.1691058
• LogD (pH = 7.4): -2.1409419
• Log P: -2.1405685
• Molar Refractivity: 72.3493 cm^3
• Polarizability: 26.353905 Å^3
• Polar Surface Area: 120.14 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: -0.31
• LOG S: -2.37
• Polar Surface Area: 120.14 Å^2
• Rotatable Bonds: 3