3-ethoxy-6-{pyrazolo[1,5-a]pyridin-7-yl}pyridazine

• ChemBase ID: 793843
• Molecular Formular: C13H12N4O
• Molecular Mass: 240.26058
• Monoisotopic Mass: 240.10111102
• SMILES: n12c(c3nnc(cc3)OCC)cccc1ccn2
• Canonical SMILES: CCOc1ccc(nn1)c1cccc2n1ncc2
• InChI: InChI=1S/C13H12N4O/c1-2-18-13-7-6-11(15-16-13)12-5-3-4-10-8-9-14-17(10)12/h3-9H,2H2,1H3
• InChIKey: XBXDLOCMTOXGQO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-ethoxy-6-{pyrazolo[1,5-a]pyridin-7-yl}pyridazine
• IUPAC Traditional name: 3-ethoxy-6-{pyrazolo[1,5-a]pyridin-7-yl}pyridazine
• Synonyms: 7-(6-ethoxy-3-pyridazinyl)pyrazolo[1,5-a]pyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.052336
• LogD (pH = 7.4): 2.0524106
• Log P: 2.0524116
• Molar Refractivity: 79.8513 cm^3
• Polarizability: 27.497446 Å^3
• Polar Surface Area: 52.31 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.89
• LOG S: -2.57
• Polar Surface Area: 52.31 Å^2
• Rotatable Bonds: 3