N-[1-(3-methyl-1H-pyrazol-5-yl)propan-2-yl]imidazo[1,2-a]pyridine-3-carboxamide

• ChemBase ID: 509681
• Molecular Formular: C15H17N5O
• Molecular Mass: 283.32838
• Monoisotopic Mass: 283.14331019
• SMILES: c1(n2c(nc1)cccc2)C(=O)NC(Cc1[nH]nc(c1)C)C
• Canonical SMILES: CC(Cc1[nH]nc(c1)C)NC(=O)c1cnc2n1cccc2
• InChI: InChI=1S/C15H17N5O/c1-10(7-12-8-11(2)18-19-12)17-15(21)13-9-16-14-5-3-4-6-20(13)14/h3-6,8-10H,7H2,1-2H3,(H,17,21)(H,18,19)
• InChIKey: BYKLDFBBEHUPFP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[1-(3-methyl-1H-pyrazol-5-yl)propan-2-yl]imidazo[1,2-a]pyridine-3-carboxamide
• IUPAC Traditional name: N-[1-(5-methyl-2H-pyrazol-3-yl)propan-2-yl]imidazo[1,2-a]pyridine-3-carboxamide
• Synonyms: N-[1-methyl-2-(3-methyl-1H-pyrazol-5-yl)ethyl]imidazo[1,2-a]pyridine-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.760534
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.2247004
• LogD (pH = 7.4): 0.3092188
• Log P: 0.31043008
• Molar Refractivity: 81.8422 cm^3
• Polarizability: 29.821974 Å^3
• Polar Surface Area: 75.08 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 1.33
• LOG S: -2.4
• Polar Surface Area: 75.08 Å^2
• Rotatable Bonds: 4