2-(5-amino-3-methyl-1H-pyrazol-1-yl)-N-{imidazo[1,2-a]pyridin-3-ylmethyl}acetamide

• ChemBase ID: 830322
• Molecular Formular: C14H16N6O
• Molecular Mass: 284.31644
• Monoisotopic Mass: 284.13855916
• SMILES: n1(c(cc(n1)C)N)CC(=O)NCc1n2c(nc1)cccc2
• Canonical SMILES: O=C(Cn1nc(cc1N)C)NCc1cnc2n1cccc2
• InChI: InChI=1S/C14H16N6O/c1-10-6-12(15)20(18-10)9-14(21)17-8-11-7-16-13-4-2-3-5-19(11)13/h2-7H,8-9,15H2,1H3,(H,17,21)
• InChIKey: GSDZICXOEHZAJD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(5-amino-3-methyl-1H-pyrazol-1-yl)-N-{imidazo[1,2-a]pyridin-3-ylmethyl}acetamide
• IUPAC Traditional name: 2-(5-amino-3-methylpyrazol-1-yl)-N-{imidazo[1,2-a]pyridin-3-ylmethyl}acetamide
• Synonyms: 2-(5-amino-3-methyl-1H-pyrazol-1-yl)-N-(imidazo[1,2-a]pyridin-3-ylmethyl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.411181
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -1.5446539
• LogD (pH = 7.4): -0.907705
• Log P: -0.8816643
• Molar Refractivity: 90.6786 cm^3
• Polarizability: 29.334791 Å^3
• Polar Surface Area: 90.24 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 2
• Log P: -0.21
• LOG S: -2.96
• Polar Surface Area: 90.24 Å^2
• Rotatable Bonds: 4