N-{1-[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]ethyl}-4H,5H,6H,7H-pyrazolo[1,5-a]pyridine-3-carboxamide

• ChemBase ID: 865955
• Molecular Formular: C17H18N6O2
• Molecular Mass: 338.36382
• Monoisotopic Mass: 338.14912385
• SMILES: c1(c2n(nc1)CCCC2)C(=O)NC(c1nc(no1)c1cnccc1)C
• Canonical SMILES: CC(c1onc(n1)c1cccnc1)NC(=O)c1cnn2c1CCCC2
• InChI: InChI=1S/C17H18N6O2/c1-11(17-21-15(22-25-17)12-5-4-7-18-9-12)20-16(24)13-10-19-23-8-3-2-6-14(13)23/h4-5,7,9-11H,2-3,6,8H2,1H3,(H,20,24)
• InChIKey: ASKWUWJWNDOZBE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{1-[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]ethyl}-4H,5H,6H,7H-pyrazolo[1,5-a]pyridine-3-carboxamide
• IUPAC Traditional name: N-{1-[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]ethyl}-4H,5H,6H,7H-pyrazolo[1,5-a]pyridine-3-carboxamide
• Synonyms: N-[1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.368425
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 1.2841592
• LogD (pH = 7.4): 1.2898972
• Log P: 1.2899714
• Molar Refractivity: 113.7834 cm^3
• Polarizability: 34.265713 Å^3
• Polar Surface Area: 98.73 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: 1.77
• LOG S: -3.18
• Polar Surface Area: 98.73 Å^2
• Rotatable Bonds: 4