2-(2-phenyl-1H-imidazol-1-yl)-N-(3-{[1,2,4]triazolo[4,3-a]pyridin-3-yl}propyl)acetamide

• ChemBase ID: 377773
• Molecular Formular: C20H20N6O
• Molecular Mass: 360.4124
• Monoisotopic Mass: 360.16985929
• SMILES: n12c(nnc1CCCNC(=O)Cn1c(ncc1)c1ccccc1)cccc2
• Canonical SMILES: O=C(Cn1ccnc1c1ccccc1)NCCCc1nnc2n1cccc2
• InChI: InChI=1S/C20H20N6O/c27-19(15-25-14-12-22-20(25)16-7-2-1-3-8-16)21-11-6-10-18-24-23-17-9-4-5-13-26(17)18/h1-5,7-9,12-14H,6,10-11,15H2,(H,21,27)
• InChIKey: XZVSCUBGLURGPO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-phenyl-1H-imidazol-1-yl)-N-(3-{[1,2,4]triazolo[4,3-a]pyridin-3-yl}propyl)acetamide
• IUPAC Traditional name: 2-(2-phenylimidazol-1-yl)-N-(3-{[1,2,4]triazolo[4,3-a]pyridin-3-yl}propyl)acetamide
• Synonyms: 2-(2-phenyl-1H-imidazol-1-yl)-N-(3-[1,2,4]triazolo[4,3-a]pyridin-3-ylpropyl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.232186
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.5844955
• LogD (pH = 7.4): 1.1284152
• Log P: 1.1471044
• Molar Refractivity: 115.3032 cm^3
• Polarizability: 39.492268 Å^3
• Polar Surface Area: 77.11 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.62
• LOG S: -3.21
• Polar Surface Area: 77.11 Å^2
• Rotatable Bonds: 7