3-(4-methyl-2-{pyrazolo[1,5-a]pyridin-7-yl}phenyl)-1,3-oxazolidin-2-one

• ChemBase ID: 631411
• Molecular Formular: C17H15N3O2
• Molecular Mass: 293.3199
• Monoisotopic Mass: 293.11642674
• SMILES: n12c(c3c(N4C(=O)OCC4)ccc(c3)C)cccc1ccn2
• Canonical SMILES: Cc1ccc(c(c1)c1cccc2n1ncc2)N1CCOC1=O
• InChI: InChI=1S/C17H15N3O2/c1-12-5-6-15(19-9-10-22-17(19)21)14(11-12)16-4-2-3-13-7-8-18-20(13)16/h2-8,11H,9-10H2,1H3
• InChIKey: QZLDRLCJMRQHNQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(4-methyl-2-{pyrazolo[1,5-a]pyridin-7-yl}phenyl)-1,3-oxazolidin-2-one
• IUPAC Traditional name: 3-(4-methyl-2-{pyrazolo[1,5-a]pyridin-7-yl}phenyl)-1,3-oxazolidin-2-one
• Synonyms: 3-(4-methyl-2-pyrazolo[1,5-a]pyridin-7-ylphenyl)-1,3-oxazolidin-2-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.1332839
• LogD (pH = 7.4): 3.1333723
• Log P: 3.1333735
• Molar Refractivity: 93.6663 cm^3
• Polarizability: 33.352875 Å^3
• Polar Surface Area: 46.84 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: 3.55
• LOG S: -4.37
• Polar Surface Area: 46.84 Å^2
• Rotatable Bonds: 2