N-[(6-{pyrazolo[1,5-a]pyridin-7-yl}pyridin-3-yl)methyl]acetamide

• ChemBase ID: 558674
• Molecular Formular: C15H14N4O
• Molecular Mass: 266.29786
• Monoisotopic Mass: 266.11676109
• SMILES: n12c(c3ncc(CNC(=O)C)cc3)cccc1ccn2
• Canonical SMILES: CC(=O)NCc1ccc(nc1)c1cccc2n1ncc2
• InChI: InChI=1S/C15H14N4O/c1-11(20)16-9-12-5-6-14(17-10-12)15-4-2-3-13-7-8-18-19(13)15/h2-8,10H,9H2,1H3,(H,16,20)
• InChIKey: VIMLWYRQEMVXPE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(6-{pyrazolo[1,5-a]pyridin-7-yl}pyridin-3-yl)methyl]acetamide
• IUPAC Traditional name: N-[(6-{pyrazolo[1,5-a]pyridin-7-yl}pyridin-3-yl)methyl]acetamide
• Synonyms: N-[(6-pyrazolo[1,5-a]pyridin-7-ylpyridin-3-yl)methyl]acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.248194
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.1810693
• LogD (pH = 7.4): 1.1831754
• Log P: 1.1832024
• Molar Refractivity: 86.3799 cm^3
• Polarizability: 30.752472 Å^3
• Polar Surface Area: 59.29 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 0.61
• LOG S: -1.66
• Polar Surface Area: 59.29 Å^2
• Rotatable Bonds: 3