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

• ChemBase ID: 351575
• Molecular Formular: C19H24N4O2
• Molecular Mass: 340.41946
• Monoisotopic Mass: 340.18992603
• SMILES: N1(C(=O)C2(Nc3ccc(cc3)OC)CCCC2)Cc2n(cnc2)CC1
• Canonical SMILES: COc1ccc(cc1)NC1(CCCC1)C(=O)N1CCn2c(C1)cnc2
• InChI: InChI=1S/C19H24N4O2/c1-25-17-6-4-15(5-7-17)21-19(8-2-3-9-19)18(24)22-10-11-23-14-20-12-16(23)13-22/h4-7,12,14,21H,2-3,8-11,13H2,1H3
• InChIKey: ROIUSNYJMFDXAJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 16.764978
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.0904261
• LogD (pH = 7.4): 1.5358827
• Log P: 1.5677499
• Molar Refractivity: 97.2408 cm^3
• Polarizability: 36.719185 Å^3
• Polar Surface Area: 59.39 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: 0.98
• LOG S: -2.52
• Polar Surface Area: 59.39 Å^2
• Rotatable Bonds: 4