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

• ChemBase ID: 668565
• Molecular Formular: C17H20FN3
• Molecular Mass: 285.3592032
• Monoisotopic Mass: 285.16412588
• SMILES: n1c2c([nH]c1c1cc(F)ccc1)CCN(C2)C1CCCC1
• Canonical SMILES: Fc1cccc(c1)c1nc2c([nH]1)CCN(C2)C1CCCC1
• InChI: InChI=1S/C17H20FN3/c18-13-5-3-4-12(10-13)17-19-15-8-9-21(11-16(15)20-17)14-6-1-2-7-14/h3-5,10,14H,1-2,6-9,11H2,(H,19,20)
• InChIKey: KTKCGAVGNAXQHO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.171308
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.63360363
• LogD (pH = 7.4): 2.464138
• Log P: 3.1310067
• Molar Refractivity: 92.062 cm^3
• Polarizability: 31.77562 Å^3
• Polar Surface Area: 31.92 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 3.48
• LOG S: -3.25
• Polar Surface Area: 31.92 Å^2
• Rotatable Bonds: 2