2-{5H,6H,7H,8H-imidazo[1,5-a]pyrazin-7-yl}-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyridine

• ChemBase ID: 693769
• Molecular Formular: C14H14N6O
• Molecular Mass: 282.30056
• Monoisotopic Mass: 282.1229091
• SMILES: n1c(onc1C)c1cnc(N2Cc3n(cnc3)CC2)cc1
• Canonical SMILES: Cc1noc(n1)c1ccc(nc1)N1CCn2c(C1)cnc2
• InChI: InChI=1S/C14H14N6O/c1-10-17-14(21-18-10)11-2-3-13(16-6-11)19-4-5-20-9-15-7-12(20)8-19/h2-3,6-7,9H,4-5,8H2,1H3
• InChIKey: ULYNCGIUFPHTNW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 0.7908721
• LogD (pH = 7.4): 1.3936346
• Log P: 1.4297316
• Molar Refractivity: 89.3579 cm^3
• Polarizability: 28.86296 Å^3
• Polar Surface Area: 72.87 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 0.44
• LOG S: -1.64
• Polar Surface Area: 72.87 Å^2
• Rotatable Bonds: 2