1-[2-(3-fluorophenyl)-1H,4H,5H,6H,7H-imidazo[4,5-c]pyridine-5-carbonyl]pyrrolidine

• ChemBase ID: 727548
• Molecular Formular: C17H19FN4O
• Molecular Mass: 314.3573632
• Monoisotopic Mass: 314.15428947
• SMILES: n1c2c([nH]c1c1cc(F)ccc1)CCN(C(=O)N1CCCC1)C2
• Canonical SMILES: Fc1cccc(c1)c1nc2c([nH]1)CCN(C2)C(=O)N1CCCC1
• InChI: InChI=1S/C17H19FN4O/c18-13-5-3-4-12(10-13)16-19-14-6-9-22(11-15(14)20-16)17(23)21-7-1-2-8-21/h3-5,10H,1-2,6-9,11H2,(H,19,20)
• InChIKey: JXVACHAZVHAIJZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[2-(3-fluorophenyl)-1H,4H,5H,6H,7H-imidazo[4,5-c]pyridine-5-carbonyl]pyrrolidine
• IUPAC Traditional name: 1-[2-(3-fluorophenyl)-1H,4H,6H,7H-imidazo[4,5-c]pyridine-5-carbonyl]pyrrolidine
• Synonyms: 2-(3-fluorophenyl)-5-(pyrrolidin-1-ylcarbonyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.658134
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.3120172
• LogD (pH = 7.4): 1.5193166
• Log P: 1.5228032
• Molar Refractivity: 95.9311 cm^3
• Polarizability: 32.69034 Å^3
• Polar Surface Area: 52.23 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 2.43
• LOG S: -3.57
• Polar Surface Area: 52.23 Å^2
• Rotatable Bonds: 1