5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-{pyrazolo[1,5-a]pyridin-7-yl}pyridine

• ChemBase ID: 762733
• Molecular Formular: C15H11N5O
• Molecular Mass: 277.28074
• Monoisotopic Mass: 277.09636
• SMILES: n12c(c3ncc(c4nc(no4)C)cc3)cccc1ccn2
• Canonical SMILES: Cc1noc(n1)c1ccc(nc1)c1cccc2n1ncc2
• InChI: InChI=1S/C15H11N5O/c1-10-18-15(21-19-10)11-5-6-13(16-9-11)14-4-2-3-12-7-8-17-20(12)14/h2-9H,1H3
• InChIKey: ALAYXWKARUOLBD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-{pyrazolo[1,5-a]pyridin-7-yl}pyridine
• IUPAC Traditional name: 5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-{pyrazolo[1,5-a]pyridin-7-yl}pyridine
• Synonyms: 7-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrazolo[1,5-a]pyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.6940815
• LogD (pH = 7.4): 2.6943078
• Log P: 2.6943107
• Molar Refractivity: 98.8048 cm^3
• Polarizability: 31.169998 Å^3
• Polar Surface Area: 69.11 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: 2.14
• LOG S: -3.05
• Polar Surface Area: 69.11 Å^2
• Rotatable Bonds: 2