(5-{[3-(naphthalen-1-yl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-5-yl]methyl}furan-2-yl)methanol

• ChemBase ID: 596466
• Molecular Formular: C22H21N3O2
• Molecular Mass: 359.42104
• Monoisotopic Mass: 359.16337693
• SMILES: c12c(n[nH]c1CCN(C2)Cc1oc(cc1)CO)c1c2c(ccc1)cccc2
• Canonical SMILES: OCc1ccc(o1)CN1CCc2c(C1)c(n[nH]2)c1cccc2c1cccc2
• InChI: InChI=1S/C22H21N3O2/c26-14-17-9-8-16(27-17)12-25-11-10-21-20(13-25)22(24-23-21)19-7-3-5-15-4-1-2-6-18(15)19/h1-9,26H,10-14H2,(H,23,24)
• InChIKey: AWZIVXXFUGBSAF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (5-{[3-(naphthalen-1-yl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-5-yl]methyl}furan-2-yl)methanol
• IUPAC Traditional name: (5-{[3-(naphthalen-1-yl)-1H,4H,6H,7H-pyrazolo[4,3-c]pyridin-5-yl]methyl}furan-2-yl)methanol
• Synonyms: (5-{[3-(1-naphthyl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl]methyl}-2-furyl)methanol

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.625801
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.7129852
• LogD (pH = 7.4): 2.42292
• Log P: 2.9099383
• Molar Refractivity: 106.4969 cm^3
• Polarizability: 42.646996 Å^3
• Polar Surface Area: 65.29 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 3.31
• LOG S: -3.91
• Polar Surface Area: 65.29 Å^2
• Rotatable Bonds: 4