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

• ChemBase ID: 450255
• Molecular Formular: C16H17N5O
• Molecular Mass: 295.33908
• Monoisotopic Mass: 295.14331019
• SMILES: c12n(c(cn1)CC(=O)NCc1ncc(nc1)C)cccc2C
• Canonical SMILES: O=C(Cc1cnc2n1cccc2C)NCc1ncc(nc1)C
• InChI: InChI=1S/C16H17N5O/c1-11-4-3-5-21-14(10-20-16(11)21)6-15(22)19-9-13-8-17-12(2)7-18-13/h3-5,7-8,10H,6,9H2,1-2H3,(H,19,22)
• InChIKey: XCTHEOGJGHYOFK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.625203
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -1.0448986
• LogD (pH = 7.4): -0.30188155
• Log P: -0.250576
• Molar Refractivity: 83.2497 cm^3
• Polarizability: 31.348837 Å^3
• Polar Surface Area: 72.18 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: -0.09
• LOG S: -2.59
• Polar Surface Area: 72.18 Å^2
• Rotatable Bonds: 4