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

• ChemBase ID: 744875
• Molecular Formular: C16H19FN4O2
• Molecular Mass: 318.3460632
• Monoisotopic Mass: 318.14920409
• SMILES: n1c2c([nH]c1c1cc(F)ccc1)CCN(C(=O)NCCOC)C2
• Canonical SMILES: COCCNC(=O)N1CCc2c(C1)nc([nH]2)c1cccc(c1)F
• InChI: InChI=1S/C16H19FN4O2/c1-23-8-6-18-16(22)21-7-5-13-14(10-21)20-15(19-13)11-3-2-4-12(17)9-11/h2-4,9H,5-8,10H2,1H3,(H,18,22)(H,19,20)
• InChIKey: ZZTCTIDUQNLXGT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.657282
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.63556725
• LogD (pH = 7.4): 0.84286743
• Log P: 0.8463542
• Molar Refractivity: 94.5369 cm^3
• Polarizability: 32.29415 Å^3
• Polar Surface Area: 70.25 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 1.61
• LOG S: -2.9
• Polar Surface Area: 70.25 Å^2
• Rotatable Bonds: 4