2-{1H,4H,5H,6H,7H-imidazo[4,5-c]pyridin-5-yl}-4-(1,2,4-oxadiazol-3-yl)pyridine

• ChemBase ID: 845702
• Molecular Formular: C13H12N6O
• Molecular Mass: 268.27398
• Monoisotopic Mass: 268.10725903
• SMILES: c12c([nH]cn1)CCN(c1cc(c3ncon3)ccn1)C2
• Canonical SMILES: o1cnc(n1)c1ccnc(c1)N1CCc2c(C1)nc[nH]2
• InChI: InChI=1S/C13H12N6O/c1-3-14-12(5-9(1)13-17-8-20-18-13)19-4-2-10-11(6-19)16-7-15-10/h1,3,5,7-8H,2,4,6H2,(H,15,16)
• InChIKey: OUGKURWOBJFQMR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-{1H,4H,5H,6H,7H-imidazo[4,5-c]pyridin-5-yl}-4-(1,2,4-oxadiazol-3-yl)pyridine
• IUPAC Traditional name: 2-{1H,4H,6H,7H-imidazo[4,5-c]pyridin-5-yl}-4-(1,2,4-oxadiazol-3-yl)pyridine
• Synonyms: 5-[4-(1,2,4-oxadiazol-3-yl)pyridin-2-yl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.035461
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 0.20434901
• LogD (pH = 7.4): 1.0581038
• Log P: 1.1195577
• Molar Refractivity: 85.0131 cm^3
• Polarizability: 27.110022 Å^3
• Polar Surface Area: 83.73 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 0.25
• LOG S: -2.67
• Polar Surface Area: 83.73 Å^2
• Rotatable Bonds: 2