N-(1-{5H,6H,7H,8H-imidazo[1,5-a]pyrazin-7-yl}-2-methyl-1-oxopropan-2-yl)thiophene-2-carboxamide

• ChemBase ID: 386265
• Molecular Formular: C15H18N4O2S
• Molecular Mass: 318.39402
• Monoisotopic Mass: 318.11504684
• SMILES: N1(C(=O)C(NC(=O)c2sccc2)(C)C)Cc2n(cnc2)CC1
• Canonical SMILES: O=C(C(NC(=O)c1cccs1)(C)C)N1CCn2c(C1)cnc2
• InChI: InChI=1S/C15H18N4O2S/c1-15(2,17-13(20)12-4-3-7-22-12)14(21)18-5-6-19-10-16-8-11(19)9-18/h3-4,7-8,10H,5-6,9H2,1-2H3,(H,17,20)
• InChIKey: AWACLFAULDAPQO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(1-{5H,6H,7H,8H-imidazo[1,5-a]pyrazin-7-yl}-2-methyl-1-oxopropan-2-yl)thiophene-2-carboxamide
• IUPAC Traditional name: N-(1-{5H,6H,8H-imidazo[1,5-a]pyrazin-7-yl}-2-methyl-1-oxopropan-2-yl)thiophene-2-carboxamide
• Synonyms: N-[2-(5,6-dihydroimidazo[1,5-a]pyrazin-7(8H)-yl)-1,1-dimethyl-2-oxoethyl]thiophene-2-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.324637
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.1853995
• LogD (pH = 7.4): 0.62670773
• Log P: 0.65852183
• Molar Refractivity: 84.203 cm^3
• Polarizability: 31.671383 Å^3
• Polar Surface Area: 67.23 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 0.26
• LOG S: -3.05
• Polar Surface Area: 67.23 Å^2
• Rotatable Bonds: 3