N-{4-[1-(2-{imidazo[1,2-a]pyridin-3-yl}ethyl)-1H-1,2,3-triazol-4-yl]phenyl}acetamide

• ChemBase ID: 539435
• Molecular Formular: C19H18N6O
• Molecular Mass: 346.38582
• Monoisotopic Mass: 346.15420923
• SMILES: n1nn(cc1c1ccc(NC(=O)C)cc1)CCc1n2c(nc1)cccc2
• Canonical SMILES: CC(=O)Nc1ccc(cc1)c1nnn(c1)CCc1cnc2n1cccc2
• InChI: InChI=1S/C19H18N6O/c1-14(26)21-16-7-5-15(6-8-16)18-13-24(23-22-18)11-9-17-12-20-19-4-2-3-10-25(17)19/h2-8,10,12-13H,9,11H2,1H3,(H,21,26)
• InChIKey: WLLGFKXGQOOFLH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{4-[1-(2-{imidazo[1,2-a]pyridin-3-yl}ethyl)-1H-1,2,3-triazol-4-yl]phenyl}acetamide
• IUPAC Traditional name: N-{4-[1-(2-{imidazo[1,2-a]pyridin-3-yl}ethyl)-1,2,3-triazol-4-yl]phenyl}acetamide
• Synonyms: N-{4-[1-(2-imidazo[1,2-a]pyridin-3-ylethyl)-1H-1,2,3-triazol-4-yl]phenyl}acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.910907
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.87575436
• LogD (pH = 7.4): 1.685713
• Log P: 1.7817537
• Molar Refractivity: 112.1795 cm^3
• Polarizability: 38.165066 Å^3
• Polar Surface Area: 77.11 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.86
• LOG S: -3.31
• Polar Surface Area: 77.11 Å^2
• Rotatable Bonds: 5