N-[(1,3-dimethyl-1H-pyrazol-5-yl)methyl]-2-{8-methylimidazo[1,2-a]pyridin-3-yl}acetamide

• ChemBase ID: 564682
• Molecular Formular: C16H19N5O
• Molecular Mass: 297.35496
• Monoisotopic Mass: 297.15896025
• SMILES: c12n(c(cn1)CC(=O)NCc1n(nc(c1)C)C)cccc2C
• Canonical SMILES: O=C(Cc1cnc2n1cccc2C)NCc1cc(nn1C)C
• InChI: InChI=1S/C16H19N5O/c1-11-5-4-6-21-14(10-18-16(11)21)8-15(22)17-9-13-7-12(2)19-20(13)3/h4-7,10H,8-9H2,1-3H3,(H,17,22)
• InChIKey: LKDGSSALAAFRMM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(1,3-dimethyl-1H-pyrazol-5-yl)methyl]-2-{8-methylimidazo[1,2-a]pyridin-3-yl}acetamide
• IUPAC Traditional name: N-[(2,5-dimethylpyrazol-3-yl)methyl]-2-{8-methylimidazo[1,2-a]pyridin-3-yl}acetamide
• Synonyms: N-[(1,3-dimethyl-1H-pyrazol-5-yl)methyl]-2-(8-methylimidazo[1,2-a]pyridin-3-yl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.144645
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.34399718
• LogD (pH = 7.4): 0.39984235
• Log P: 0.45115814
• Molar Refractivity: 96.8666 cm^3
• Polarizability: 31.707344 Å^3
• Polar Surface Area: 64.22 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 0.36
• LOG S: -1.68
• Polar Surface Area: 64.22 Å^2
• Rotatable Bonds: 4