2-[3-(naphthalen-1-yl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-5-yl]ethan-1-ol

• ChemBase ID: 848898
• Molecular Formular: C18H19N3O
• Molecular Mass: 293.36296
• Monoisotopic Mass: 293.15281224
• SMILES: c12c(n[nH]c1CCN(C2)CCO)c1c2c(ccc1)cccc2
• Canonical SMILES: OCCN1CCc2c(C1)c(n[nH]2)c1cccc2c1cccc2
• InChI: InChI=1S/C18H19N3O/c22-11-10-21-9-8-17-16(12-21)18(20-19-17)15-7-3-5-13-4-1-2-6-14(13)15/h1-7,22H,8-12H2,(H,19,20)
• InChIKey: ONXUZLDUIHTNPA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[3-(naphthalen-1-yl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-5-yl]ethan-1-ol
• IUPAC Traditional name: 2-[3-(naphthalen-1-yl)-1H,4H,6H,7H-pyrazolo[4,3-c]pyridin-5-yl]ethanol
• Synonyms: 2-[3-(1-naphthyl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl]ethanol

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.289819
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -0.3905477
• LogD (pH = 7.4): 1.3831952
• Log P: 2.2824652
• Molar Refractivity: 89.0923 cm^3
• Polarizability: 36.24317 Å^3
• Polar Surface Area: 52.15 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 3.09
• LOG S: -2.97
• Polar Surface Area: 52.15 Å^2
• Rotatable Bonds: 3