6-methyl-N-[3-(1H-1,2,3-triazol-1-yl)propyl]imidazo[1,2-a]pyridine-2-carboxamide

• ChemBase ID: 560286
• Molecular Formular: C14H16N6O
• Molecular Mass: 284.31644
• Monoisotopic Mass: 284.13855916
• SMILES: c1(nc2n(c1)cc(cc2)C)C(=O)NCCCn1nncc1
• Canonical SMILES: Cc1ccc2n(c1)cc(n2)C(=O)NCCCn1nncc1
• InChI: InChI=1S/C14H16N6O/c1-11-3-4-13-17-12(10-19(13)9-11)14(21)15-5-2-7-20-8-6-16-18-20/h3-4,6,8-10H,2,5,7H2,1H3,(H,15,21)
• InChIKey: GREDJCBTJDXGAX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-methyl-N-[3-(1H-1,2,3-triazol-1-yl)propyl]imidazo[1,2-a]pyridine-2-carboxamide
• IUPAC Traditional name: 6-methyl-N-[3-(1,2,3-triazol-1-yl)propyl]imidazo[1,2-a]pyridine-2-carboxamide
• Synonyms: 6-methyl-N-[3-(1H-1,2,3-triazol-1-yl)propyl]imidazo[1,2-a]pyridine-2-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.676989
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.6327165
• LogD (pH = 7.4): 0.6416866
• Log P: 0.6418023
• Molar Refractivity: 90.7955 cm^3
• Polarizability: 28.971907 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: 0.78
• LOG S: -1.94
• Polar Surface Area: 77.11 Å^2
• Rotatable Bonds: 5