5-(2-methoxyethyl)-3-(4-phenylphenyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine

• ChemBase ID: 333943
• Molecular Formular: C21H23N3O
• Molecular Mass: 333.42682
• Monoisotopic Mass: 333.18411237
• SMILES: c12c(n[nH]c1CCN(C2)CCOC)c1ccc(cc1)c1ccccc1
• Canonical SMILES: COCCN1CCc2c(C1)c(n[nH]2)c1ccc(cc1)c1ccccc1
• InChI: InChI=1S/C21H23N3O/c1-25-14-13-24-12-11-20-19(15-24)21(23-22-20)18-9-7-17(8-10-18)16-5-3-2-4-6-16/h2-10H,11-15H2,1H3,(H,22,23)
• InChIKey: TUDRFZZBUARAJJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.391106
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.0166196
• LogD (pH = 7.4): 2.7890484
• Log P: 3.5833402
• Molar Refractivity: 102.5295 cm^3
• Polarizability: 41.62753 Å^3
• Polar Surface Area: 41.15 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 3.53
• LOG S: -3.64
• Polar Surface Area: 41.15 Å^2
• Rotatable Bonds: 5