1-{imidazo[1,2-a]pyridin-2-ylmethyl}-1H-pyrazol-4-amine

• ChemBase ID: 267325
• Molecular Formular: C11H11N5
• Molecular Mass: 213.23854
• Monoisotopic Mass: 213.10144538
• SMILES: n1c(cn2c1cccc2)Cn1ncc(c1)N
• Canonical SMILES: Nc1cnn(c1)Cc1nc2n(c1)cccc2
• InChI: InChI=1S/C11H11N5/c12-9-5-13-16(6-9)8-10-7-15-4-2-1-3-11(15)14-10/h1-7H,8,12H2
• InChIKey: BTIHVTVZWXPXBM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-{imidazo[1,2-a]pyridin-2-ylmethyl}-1H-pyrazol-4-amine
• IUPAC Traditional name: 1-{imidazo[1,2-a]pyridin-2-ylmethyl}pyrazol-4-amine
• Synonyms: 1-{imidazo[1,2-a]pyridin-2-ylmethyl}-1H-pyrazol-4-amine

Database IDs

• MDL Number: MFCD11128216
• PubChem SID: 164323235
• PubChem CID: 28373979

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.3718464
• LogD (pH = 7.4): 0.15030733
• Log P: 0.16442853
• Molar Refractivity: 73.6306 cm^3
• Polarizability: 22.58718 Å^3
• Polar Surface Area: 61.14 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.694

Product Information

• Purity: 95%