5-{5H,6H,7H,8H-imidazo[1,5-a]pyrazine-7-carbonyl}-1-(prop-2-en-1-yl)piperidin-2-one

• ChemBase ID: 689335
• Molecular Formular: C15H20N4O2
• Molecular Mass: 288.3449
• Monoisotopic Mass: 288.1586259
• SMILES: N1(C(=O)C2CN(C(=O)CC2)CC=C)Cc2n(cnc2)CC1
• Canonical SMILES: C=CCN1CC(CCC1=O)C(=O)N1CCn2c(C1)cnc2
• InChI: InChI=1S/C15H20N4O2/c1-2-5-17-9-12(3-4-14(17)20)15(21)18-6-7-19-11-16-8-13(19)10-18/h2,8,11-12H,1,3-7,9-10H2
• InChIKey: GPDZAAFUTWTFIP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-{5H,6H,7H,8H-imidazo[1,5-a]pyrazine-7-carbonyl}-1-(prop-2-en-1-yl)piperidin-2-one
• IUPAC Traditional name: 5-{5H,6H,8H-imidazo[1,5-a]pyrazine-7-carbonyl}-1-(prop-2-en-1-yl)piperidin-2-one
• Synonyms: 1-allyl-5-(5,6-dihydroimidazo[1,5-a]pyrazin-7(8H)-ylcarbonyl)piperidin-2-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -1.0560223
• LogD (pH = 7.4): -0.61471254
• Log P: -0.5828979
• Molar Refractivity: 78.9924 cm^3
• Polarizability: 29.981405 Å^3
• Polar Surface Area: 58.44 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: -0.63
• LOG S: -2.08
• Polar Surface Area: 58.44 Å^2
• Rotatable Bonds: 3