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

• ChemBase ID: 366908
• Molecular Formular: C22H25N3O
• Molecular Mass: 347.4534
• Monoisotopic Mass: 347.19976244
• SMILES: c12c(n[nH]c1CCN(C2)CCCOC)c1ccc(cc1)c1ccccc1
• Canonical SMILES: COCCCN1CCc2c(C1)c(n[nH]2)c1ccc(cc1)c1ccccc1
• InChI: InChI=1S/C22H25N3O/c1-26-15-5-13-25-14-12-21-20(16-25)22(24-23-21)19-10-8-18(9-11-19)17-6-3-2-4-7-17/h2-4,6-11H,5,12-16H2,1H3,(H,23,24)
• InChIKey: KWJAZGRZRIBHDT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.391128
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.81223565
• LogD (pH = 7.4): 2.5718377
• Log P: 3.6433
• Molar Refractivity: 107.3949 cm^3
• Polarizability: 43.4745 Å^3
• Polar Surface Area: 41.15 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 3.96
• LOG S: -4.11
• Polar Surface Area: 41.15 Å^2
• Rotatable Bonds: 6