2-(1-methyl-1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-3-amine

• ChemBase ID: 237462
• Molecular Formular: C11H11N5
• Molecular Mass: 213.23854
• Monoisotopic Mass: 213.10144538
• SMILES: c1(c(n2c(n1)cccc2)N)c1cn(nc1)C
• Canonical SMILES: Cn1ncc(c1)c1nc2n(c1N)cccc2
• InChI: InChI=1S/C11H11N5/c1-15-7-8(6-13-15)10-11(12)16-5-3-2-4-9(16)14-10/h2-7H,12H2,1H3
• InChIKey: SPYFOGBTBUENRR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(1-methyl-1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-3-amine
• IUPAC Traditional name: 2-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-amine
• Synonyms: 2-(1-methyl-1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-3-amine

Database IDs

• MDL Number: MFCD18848206
• PubChem SID: 164293372
• PubChem CID: 63617410

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.7120517
• LogD (pH = 7.4): 0.35993287
• Log P: 0.48085022
• Molar Refractivity: 73.5577 cm^3
• Polarizability: 23.946266 Å^3
• Polar Surface Area: 61.14 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 149 - 151°C
• Hydrophobicity(logP): 1.394

Product Information

• Purity: 95%