N-[3-methyl-1-(1-methyl-1H-1,2,4-triazol-5-yl)butyl]imidazo[1,2-a]pyridine-6-carboxamide

• ChemBase ID: 543311
• Molecular Formular: C16H20N6O
• Molecular Mass: 312.3696
• Monoisotopic Mass: 312.16985929
• SMILES: c1(ncnn1C)C(NC(=O)c1cn2c(ncc2)cc1)CC(C)C
• Canonical SMILES: CC(CC(c1ncnn1C)NC(=O)c1ccc2n(c1)ccn2)C
• InChI: InChI=1S/C16H20N6O/c1-11(2)8-13(15-18-10-19-21(15)3)20-16(23)12-4-5-14-17-6-7-22(14)9-12/h4-7,9-11,13H,8H2,1-3H3,(H,20,23)
• InChIKey: MWAHMUPICIWVNL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[3-methyl-1-(1-methyl-1H-1,2,4-triazol-5-yl)butyl]imidazo[1,2-a]pyridine-6-carboxamide
• IUPAC Traditional name: N-[3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]imidazo[1,2-a]pyridine-6-carboxamide
• Synonyms: N-[3-methyl-1-(1-methyl-1H-1,2,4-triazol-5-yl)butyl]imidazo[1,2-a]pyridine-6-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.205627
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.56524056
• LogD (pH = 7.4): 1.1709949
• Log P: 1.1957202
• Molar Refractivity: 100.0961 cm^3
• Polarizability: 32.627003 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: 1.11
• LOG S: -2.43
• Polar Surface Area: 77.11 Å^2
• Rotatable Bonds: 5