3-(5-{5-methylimidazo[1,2-a]pyridin-2-yl}-1,2,4-oxadiazol-3-yl)pyridazine

• ChemBase ID: 848190
• Molecular Formular: C14H10N6O
• Molecular Mass: 278.2688
• Monoisotopic Mass: 278.09160897
• SMILES: c1(c2nc(no2)c2nnccc2)nc2n(c1)c(ccc2)C
• Canonical SMILES: Cc1cccc2n1cc(n2)c1onc(n1)c1cccnn1
• InChI: InChI=1S/C14H10N6O/c1-9-4-2-6-12-16-11(8-20(9)12)14-17-13(19-21-14)10-5-3-7-15-18-10/h2-8H,1H3
• InChIKey: MCTLADOEGRAULZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(5-{5-methylimidazo[1,2-a]pyridin-2-yl}-1,2,4-oxadiazol-3-yl)pyridazine
• IUPAC Traditional name: 3-(5-{5-methylimidazo[1,2-a]pyridin-2-yl}-1,2,4-oxadiazol-3-yl)pyridazine
• Synonyms: 5-methyl-2-[3-(3-pyridazinyl)-1,2,4-oxadiazol-5-yl]imidazo[1,2-a]pyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 1.6892877
• LogD (pH = 7.4): 1.7294346
• Log P: 1.7299722
• Molar Refractivity: 99.1773 cm^3
• Polarizability: 28.976437 Å^3
• Polar Surface Area: 82.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 2.1
• LOG S: -3.02
• Polar Surface Area: 82.0 Å^2
• Rotatable Bonds: 2