7-[2-(3-methoxyphenoxy)ethyl]pyrazolo[1,5-a]pyridine

• ChemBase ID: 573675
• Molecular Formular: C16H16N2O2
• Molecular Mass: 268.31044
• Monoisotopic Mass: 268.12117776
• SMILES: n12c(ccn1)cccc2CCOc1cc(OC)ccc1
• Canonical SMILES: COc1cccc(c1)OCCc1cccc2n1ncc2
• InChI: InChI=1S/C16H16N2O2/c1-19-15-6-3-7-16(12-15)20-11-9-14-5-2-4-13-8-10-17-18(13)14/h2-8,10,12H,9,11H2,1H3
• InChIKey: QVORONHQDOGPKF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-[2-(3-methoxyphenoxy)ethyl]pyrazolo[1,5-a]pyridine
• IUPAC Traditional name: 7-[2-(3-methoxyphenoxy)ethyl]pyrazolo[1,5-a]pyridine
• Synonyms: 7-[2-(3-methoxyphenoxy)ethyl]pyrazolo[1,5-a]pyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.8921652
• LogD (pH = 7.4): 2.892273
• Log P: 2.8922744
• Molar Refractivity: 88.2598 cm^3
• Polarizability: 30.347826 Å^3
• Polar Surface Area: 35.76 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 3.27
• LOG S: -3.95
• Polar Surface Area: 35.76 Å^2
• Rotatable Bonds: 5