4-[2-(3-fluorophenyl)-1H,4H,5H,6H,7H-imidazo[4,5-c]pyridin-5-yl]piperidine

• ChemBase ID: 699858
• Molecular Formular: C17H21FN4
• Molecular Mass: 300.3738432
• Monoisotopic Mass: 300.17502491
• SMILES: n1c2c([nH]c1c1cc(F)ccc1)CCN(C2)C1CCNCC1
• Canonical SMILES: Fc1cccc(c1)c1nc2c([nH]1)CCN(C2)C1CCNCC1
• InChI: InChI=1S/C17H21FN4/c18-13-3-1-2-12(10-13)17-20-15-6-9-22(11-16(15)21-17)14-4-7-19-8-5-14/h1-3,10,14,19H,4-9,11H2,(H,20,21)
• InChIKey: YMXJZWHJGJVXLN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.176248
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -2.6326184
• LogD (pH = 7.4): -1.2978215
• Log P: 1.3269302
• Molar Refractivity: 95.8052 cm^3
• Polarizability: 33.30209 Å^3
• Polar Surface Area: 43.95 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 2.19
• LOG S: -2.25
• Polar Surface Area: 43.95 Å^2
• Rotatable Bonds: 2