5-(2-ethoxyethyl)-3-(naphthalen-1-yl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine

• ChemBase ID: 449478
• Molecular Formular: C20H23N3O
• Molecular Mass: 321.41612
• Monoisotopic Mass: 321.18411237
• SMILES: c12c(n[nH]c1CCN(C2)CCOCC)c1c2c(ccc1)cccc2
• Canonical SMILES: CCOCCN1CCc2c(C1)c(n[nH]2)c1cccc2c1cccc2
• InChI: InChI=1S/C20H23N3O/c1-2-24-13-12-23-11-10-19-18(14-23)20(22-21-19)17-9-5-7-15-6-3-4-8-16(15)17/h3-9H,2,10-14H2,1H3,(H,21,22)
• InChIKey: QRAGVIGHIXRIMK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Rotatable Bonds: 5
• Lipinski's Rule of Five: true
• Acid pKa: 14.312004
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.51456565
• LogD (pH = 7.4): 2.2823288
• Log P: 3.2823997
• Molar Refractivity: 98.5921 cm^3
• Polarizability: 40.01436 Å^3
• Polar Surface Area: 41.15 Å^2

供应商提供(Chembridge)

• Rotatable Bonds: 5
• H Acceptors: 3
• H Donor: 1
• Log P: 3.64
• LOG S: -3.65
• Polar Surface Area: 41.15 Å^2