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

• ChemBase ID: 701816
• Molecular Formular: C21H25N3O2
• Molecular Mass: 351.4421
• Monoisotopic Mass: 351.19467706
• SMILES: c12c(n(nc1CO)CC)CCN(C2)Cc1cc(c2oc(cc2)C)ccc1
• Canonical SMILES: OCc1nn(c2c1CN(CC2)Cc1cccc(c1)c1ccc(o1)C)CC
• InChI: InChI=1S/C21H25N3O2/c1-3-24-20-9-10-23(13-18(20)19(14-25)22-24)12-16-5-4-6-17(11-16)21-8-7-15(2)26-21/h4-8,11,25H,3,9-10,12-14H2,1-2H3
• InChIKey: YOGSJXDIYLJGSZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.012167
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.66853154
• LogD (pH = 7.4): 2.16143
• Log P: 2.3761272
• Molar Refractivity: 115.1333 cm^3
• Polarizability: 40.458878 Å^3
• Polar Surface Area: 54.43 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: 2.49
• LOG S: -2.88
• Polar Surface Area: 54.43 Å^2
• Rotatable Bonds: 5