N-(4-{5H,6H,7H,8H-imidazo[1,5-a]pyrazine-7-carbonyl}-3-methylphenyl)acetamide

• ChemBase ID: 440880
• Molecular Formular: C16H18N4O2
• Molecular Mass: 298.33972
• Monoisotopic Mass: 298.14297584
• SMILES: N1(C(=O)c2c(cc(NC(=O)C)cc2)C)Cc2n(cnc2)CC1
• Canonical SMILES: CC(=O)Nc1ccc(c(c1)C)C(=O)N1CCn2c(C1)cnc2
• InChI: InChI=1S/C16H18N4O2/c1-11-7-13(18-12(2)21)3-4-15(11)16(22)19-5-6-20-10-17-8-14(20)9-19/h3-4,7-8,10H,5-6,9H2,1-2H3,(H,18,21)
• InChIKey: APZVHWSLRFKEJT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(4-{5H,6H,7H,8H-imidazo[1,5-a]pyrazine-7-carbonyl}-3-methylphenyl)acetamide
• IUPAC Traditional name: N-(4-{5H,6H,8H-imidazo[1,5-a]pyrazine-7-carbonyl}-3-methylphenyl)acetamide
• Synonyms: N-[4-(5,6-dihydroimidazo[1,5-a]pyrazin-7(8H)-ylcarbonyl)-3-methylphenyl]acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.762633
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.12742276
• LogD (pH = 7.4): 0.56871754
• Log P: 0.6005253
• Molar Refractivity: 85.2066 cm^3
• Polarizability: 31.023317 Å^3
• Polar Surface Area: 67.23 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: -0.65
• LOG S: -2.13
• Polar Surface Area: 67.23 Å^2
• Rotatable Bonds: 2