N-[3-(dimethyl-1H-1,2,4-triazol-1-yl)propyl]imidazo[1,2-a]pyridine-6-carboxamide

• ChemBase ID: 861810
• Molecular Formular: C15H18N6O
• Molecular Mass: 298.34302
• Monoisotopic Mass: 298.15420923
• SMILES: n1c(n(nc1C)CCCNC(=O)c1cn2c(ncc2)cc1)C
• Canonical SMILES: Cc1nn(c(n1)C)CCCNC(=O)c1ccc2n(c1)ccn2
• InChI: InChI=1S/C15H18N6O/c1-11-18-12(2)21(19-11)8-3-6-17-15(22)13-4-5-14-16-7-9-20(14)10-13/h4-5,7,9-10H,3,6,8H2,1-2H3,(H,17,22)
• InChIKey: IBPMYGYKLZDMQY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Polarizability: 30.717304 Å^3
• Polar Surface Area: 77.11 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true
• Acid pKa: 14.277589
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.42061344
• LogD (pH = 7.4): 0.21701139
• Log P: 0.24249087
• Molar Refractivity: 96.0085 cm^3

供应商提供(Chembridge)

• Polar Surface Area: 77.11 Å^2
• Rotatable Bonds: 5
• H Acceptors: 4
• H Donor: 1
• Log P: -0.01
• LOG S: -2.68