1-cyclopentyl-5-{[3-(2-fluorophenyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-5-yl]methyl}-1H-imidazole

• ChemBase ID: 753122
• Molecular Formular: C21H24FN5
• Molecular Mass: 365.4471632
• Monoisotopic Mass: 365.20157401
• SMILES: c12c(n[nH]c1CCN(C2)Cc1n(cnc1)C1CCCC1)c1c(F)cccc1
• Canonical SMILES: Fc1ccccc1c1n[nH]c2c1CN(CC2)Cc1cncn1C1CCCC1
• InChI: InChI=1S/C21H24FN5/c22-19-8-4-3-7-17(19)21-18-13-26(10-9-20(18)24-25-21)12-16-11-23-14-27(16)15-5-1-2-6-15/h3-4,7-8,11,14-15H,1-2,5-6,9-10,12-13H2,(H,24,25)
• InChIKey: NYCUKXCYDGQDBV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-cyclopentyl-5-{[3-(2-fluorophenyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-5-yl]methyl}-1H-imidazole
• IUPAC Traditional name: 1-cyclopentyl-5-{[3-(2-fluorophenyl)-1H,4H,6H,7H-pyrazolo[4,3-c]pyridin-5-yl]methyl}imidazole
• Synonyms: 5-[(1-cyclopentyl-1H-imidazol-5-yl)methyl]-3-(2-fluorophenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.069677
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.3367132
• LogD (pH = 7.4): 3.0410826
• Log P: 3.2301745
• Molar Refractivity: 105.321 cm^3
• Polarizability: 40.62469 Å^3
• Polar Surface Area: 49.74 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 3.08
• LOG S: -3.49
• Polar Surface Area: 49.74 Å^2
• Rotatable Bonds: 4