2-(1-methyl-1H-pyrazol-4-yl)imidazo[1,2-a]pyridine-7-carboxylic acid

• ChemBase ID: 285793
• Molecular Formular: C12H10N4O2
• Molecular Mass: 242.2334
• Monoisotopic Mass: 242.08037558
• SMILES: c12nc(c3cn(nc3)C)cn1ccc(c2)C(=O)O
• Canonical SMILES: Cn1ncc(c1)c1cn2c(n1)cc(cc2)C(=O)O
• InChI: InChI=1S/C12H10N4O2/c1-15-6-9(5-13-15)10-7-16-3-2-8(12(17)18)4-11(16)14-10/h2-7H,1H3,(H,17,18)
• InChIKey: SEJFRTMXMNSUDX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(1-methyl-1H-pyrazol-4-yl)imidazo[1,2-a]pyridine-7-carboxylic acid
• IUPAC Traditional name: 2-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine-7-carboxylic acid
• Synonyms: 2-(1-methyl-1H-pyrazol-4-yl)imidazo[1,2-a]pyridine-7-carboxylic acid

Database IDs

• MDL Number: MFCD20067171
• PubChem SID: 180671324
• PubChem CID: 64398473

CALCULATED PROPERTIES

• Acid pKa: 3.4520462
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -1.022789
• LogD (pH = 7.4): -2.4055676
• Log P: -0.583847
• Molar Refractivity: 76.8602 cm^3
• Polarizability: 25.146774 Å^3
• Polar Surface Area: 72.42 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.668

Product Information

• Purity: 95%