3-methoxy-5-{pyrazolo[1,5-a]pyridin-7-yl}pyridine

• ChemBase ID: 748116
• Molecular Formular: C13H11N3O
• Molecular Mass: 225.24594
• Monoisotopic Mass: 225.09021199
• SMILES: n12c(c3cc(cnc3)OC)cccc1ccn2
• Canonical SMILES: COc1cncc(c1)c1cccc2n1ncc2
• InChI: InChI=1S/C13H11N3O/c1-17-12-7-10(8-14-9-12)13-4-2-3-11-5-6-15-16(11)13/h2-9H,1H3
• InChIKey: OGGMALXWCJQFQR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.6810286
• LogD (pH = 7.4): 1.6948856
• Log P: 1.6950657
• Molar Refractivity: 75.2979 cm^3
• Polarizability: 26.558023 Å^3
• Polar Surface Area: 39.42 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.34
• LOG S: -2.84
• Polar Surface Area: 39.42 Å^2
• Rotatable Bonds: 2