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

• ChemBase ID: 695040
• Molecular Formular: C15H14N4O
• Molecular Mass: 266.29786
• Monoisotopic Mass: 266.11676109
• SMILES: n12c(c3ccc(OCC(=N)N)cc3)cccc1ccn2
• Canonical SMILES: NC(=N)COc1ccc(cc1)c1cccc2n1ncc2
• InChI: InChI=1S/C15H14N4O/c16-15(17)10-20-13-6-4-11(5-7-13)14-3-1-2-12-8-9-18-19(12)14/h1-9H,10H2,(H3,16,17)
• InChIKey: POUGYZCCQXPTKZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-{pyrazolo[1,5-a]pyridin-7-yl}phenoxy)ethanimidamide
• IUPAC Traditional name: 2-(4-{pyrazolo[1,5-a]pyridin-7-yl}phenoxy)ethanimidamide
• Synonyms: 2-(4-pyrazolo[1,5-a]pyridin-7-ylphenoxy)ethanimidamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -0.7543819
• LogD (pH = 7.4): -0.38379365
• Log P: 1.6536071
• Molar Refractivity: 97.9557 cm^3
• Polarizability: 31.146427 Å^3
• Polar Surface Area: 76.4 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 1.43
• LOG S: -2.36
• Polar Surface Area: 76.4 Å^2
• Rotatable Bonds: 4