N-(3-{5H,6H,7H,8H-imidazo[1,5-a]pyrazine-7-carbonyl}-2-methylphenyl)furan-2-carboxamide

• ChemBase ID: 506321
• Molecular Formular: C19H18N4O3
• Molecular Mass: 350.37122
• Monoisotopic Mass: 350.13789046
• SMILES: N1(C(=O)c2c(c(NC(=O)c3occc3)ccc2)C)Cc2n(cnc2)CC1
• Canonical SMILES: O=C(c1cccc(c1C)NC(=O)c1ccco1)N1CCn2c(C1)cnc2
• InChI: InChI=1S/C19H18N4O3/c1-13-15(19(25)22-7-8-23-12-20-10-14(23)11-22)4-2-5-16(13)21-18(24)17-6-3-9-26-17/h2-6,9-10,12H,7-8,11H2,1H3,(H,21,24)
• InChIKey: XUBMSQGVASLMIK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(3-{5H,6H,7H,8H-imidazo[1,5-a]pyrazine-7-carbonyl}-2-methylphenyl)furan-2-carboxamide
• IUPAC Traditional name: N-(3-{5H,6H,8H-imidazo[1,5-a]pyrazine-7-carbonyl}-2-methylphenyl)furan-2-carboxamide
• Synonyms: N-[3-(5,6-dihydroimidazo[1,5-a]pyrazin-7(8H)-ylcarbonyl)-2-methylphenyl]-2-furamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.99173
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.0418426
• LogD (pH = 7.4): 1.4830332
• Log P: 1.5149465
• Molar Refractivity: 98.268 cm^3
• Polarizability: 35.642536 Å^3
• Polar Surface Area: 80.37 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 0.56
• LOG S: -2.23
• Polar Surface Area: 80.37 Å^2
• Rotatable Bonds: 3