(5-{5H,6H,7H,8H-imidazo[1,5-a]pyrazin-7-ylmethyl}-2-(propan-2-yloxy)phenyl)methanol

• ChemBase ID: 428882
• Molecular Formular: C17H23N3O2
• Molecular Mass: 301.38342
• Monoisotopic Mass: 301.17902699
• SMILES: c12n(cnc2)CCN(C1)Cc1cc(c(OC(C)C)cc1)CO
• Canonical SMILES: OCc1cc(ccc1OC(C)C)CN1CCn2c(C1)cnc2
• InChI: InChI=1S/C17H23N3O2/c1-13(2)22-17-4-3-14(7-15(17)11-21)9-19-5-6-20-12-18-8-16(20)10-19/h3-4,7-8,12-13,21H,5-6,9-11H2,1-2H3
• InChIKey: WPYYQIQODIPFBS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (5-{5H,6H,7H,8H-imidazo[1,5-a]pyrazin-7-ylmethyl}-2-(propan-2-yloxy)phenyl)methanol
• IUPAC Traditional name: (5-{5H,6H,8H-imidazo[1,5-a]pyrazin-7-ylmethyl}-2-isopropoxyphenyl)methanol
• Synonyms: [5-(5,6-dihydroimidazo[1,5-a]pyrazin-7(8H)-ylmethyl)-2-isopropoxyphenyl]methanol

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.671661
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.56834537
• LogD (pH = 7.4): 1.1366575
• Log P: 1.3411598
• Molar Refractivity: 87.4198 cm^3
• Polarizability: 33.46717 Å^3
• Polar Surface Area: 50.52 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 0.44
• LOG S: -0.77
• Polar Surface Area: 50.52 Å^2
• Rotatable Bonds: 5