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

• ChemBase ID: 728867
• Molecular Formular: C17H14N6O2
• Molecular Mass: 334.33206
• Monoisotopic Mass: 334.11782372
• SMILES: c1(cn2c(ncc2)cc1)C(=O)NCCc1nc(no1)c1cnccc1
• Canonical SMILES: O=C(c1ccc2n(c1)ccn2)NCCc1onc(n1)c1cccnc1
• InChI: InChI=1S/C17H14N6O2/c24-17(13-3-4-14-19-8-9-23(14)11-13)20-7-5-15-21-16(22-25-15)12-2-1-6-18-10-12/h1-4,6,8-11H,5,7H2,(H,20,24)
• InChIKey: AHZSMQPMYILQFJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.271967
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 0.311909
• LogD (pH = 7.4): 0.95423156
• Log P: 0.9797646
• Molar Refractivity: 102.4208 cm^3
• Polarizability: 33.91948 Å^3
• Polar Surface Area: 98.21 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: 1.34
• LOG S: -2.78
• Polar Surface Area: 98.21 Å^2
• Rotatable Bonds: 5