N-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]-1H,4H,5H,6H,7H-imidazo[4,5-c]pyridine-4-carboxamide

• ChemBase ID: 360304
• Molecular Formular: C17H18N6O2
• Molecular Mass: 338.36382
• Monoisotopic Mass: 338.14912385
• SMILES: c12C(C(=O)NCCc3nc(on3)c3ccccc3)NCCc2[nH]cn1
• Canonical SMILES: O=C(C1NCCc2c1nc[nH]2)NCCc1noc(n1)c1ccccc1
• InChI: InChI=1S/C17H18N6O2/c24-16(15-14-12(6-8-18-15)20-10-21-14)19-9-7-13-22-17(25-23-13)11-4-2-1-3-5-11/h1-5,10,15,18H,6-9H2,(H,19,24)(H,20,21)
• InChIKey: YVPDNYAZRJITPG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]-1H,4H,5H,6H,7H-imidazo[4,5-c]pyridine-4-carboxamide
• IUPAC Traditional name: N-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]-1H,4H,5H,6H,7H-imidazo[4,5-c]pyridine-4-carboxamide
• Synonyms: N-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.883477
• H Acceptors: 5
• H Donor: 3
• LogD (pH = 5.5): -0.4999419
• LogD (pH = 7.4): 0.70488924
• Log P: 0.80616796
• Molar Refractivity: 102.2755 cm^3
• Polarizability: 35.11542 Å^3
• Polar Surface Area: 108.73 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 3
• Log P: -0.41
• LOG S: -2.63
• Polar Surface Area: 108.73 Å^2
• Rotatable Bonds: 5