7-(5-chloro-2-methoxybenzoyl)-5H,6H,7H,8H-imidazo[1,5-a]pyrazine

• ChemBase ID: 654073
• Molecular Formular: C14H14ClN3O2
• Molecular Mass: 291.73286
• Monoisotopic Mass: 291.07745438
• SMILES: C(=O)(c1c(ccc(c1)Cl)OC)N1Cc2n(cnc2)CC1
• Canonical SMILES: COc1ccc(cc1C(=O)N1CCn2c(C1)cnc2)Cl
• InChI: InChI=1S/C14H14ClN3O2/c1-20-13-3-2-10(15)6-12(13)14(19)17-4-5-18-9-16-7-11(18)8-17/h2-3,6-7,9H,4-5,8H2,1H3
• InChIKey: PMLAUZLFOZGFOH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-(5-chloro-2-methoxybenzoyl)-5H,6H,7H,8H-imidazo[1,5-a]pyrazine
• IUPAC Traditional name: 7-(5-chloro-2-methoxybenzoyl)-5H,6H,8H-imidazo[1,5-a]pyrazine
• Synonyms: 7-(5-chloro-2-methoxybenzoyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.8226645
• LogD (pH = 7.4): 1.2639594
• Log P: 1.295767
• Molar Refractivity: 76.5704 cm^3
• Polarizability: 28.793324 Å^3
• Polar Surface Area: 47.36 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 0.76
• LOG S: -1.98
• Polar Surface Area: 47.36 Å^2
• Rotatable Bonds: 2