2-(1,2-oxazol-5-yl)-4-{pyrazolo[1,5-a]pyridin-7-yl}phenol

• ChemBase ID: 627164
• Molecular Formular: C16H11N3O2
• Molecular Mass: 277.27744
• Monoisotopic Mass: 277.08512661
• SMILES: n12c(c3cc(c4oncc4)c(cc3)O)cccc1ccn2
• Canonical SMILES: Oc1ccc(cc1c1ccno1)c1cccc2n1ncc2
• InChI: InChI=1S/C16H11N3O2/c20-15-5-4-11(10-13(15)16-7-9-18-21-16)14-3-1-2-12-6-8-17-19(12)14/h1-10,20H
• InChIKey: GSLBRSSCZPODOM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(1,2-oxazol-5-yl)-4-{pyrazolo[1,5-a]pyridin-7-yl}phenol
• IUPAC Traditional name: 2-(1,2-oxazol-5-yl)-4-{pyrazolo[1,5-a]pyridin-7-yl}phenol
• Synonyms: 2-(5-isoxazolyl)-4-pyrazolo[1,5-a]pyridin-7-ylphenol

CALCULATED PROPERTIES

JChem

• Acid pKa: 8.557727
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.6981437
• LogD (pH = 7.4): 2.6696355
• Log P: 2.698616
• Molar Refractivity: 89.4282 cm^3
• Polarizability: 32.489273 Å^3
• Polar Surface Area: 63.56 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.41
• LOG S: -2.7
• Polar Surface Area: 63.56 Å^2
• Rotatable Bonds: 2