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

• ChemBase ID: 487618
• Molecular Formular: C19H18FN5O
• Molecular Mass: 351.3775232
• Monoisotopic Mass: 351.14953844
• SMILES: n1c2c([nH]c1c1cnccc1)CCN(C(=O)NCc1cc(F)ccc1)C2
• Canonical SMILES: Fc1cccc(c1)CNC(=O)N1CCc2c(C1)nc([nH]2)c1cccnc1
• InChI: InChI=1S/C19H18FN5O/c20-15-5-1-3-13(9-15)10-22-19(26)25-8-6-16-17(12-25)24-18(23-16)14-4-2-7-21-11-14/h1-5,7,9,11H,6,8,10,12H2,(H,22,26)(H,23,24)
• InChIKey: FYMNRGFYXUHADM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.448381
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.2313963
• LogD (pH = 7.4): 1.3975093
• Log P: 1.4001304
• Molar Refractivity: 105.9491 cm^3
• Polarizability: 36.58532 Å^3
• Polar Surface Area: 73.91 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 1.78
• LOG S: -3.28
• Polar Surface Area: 73.91 Å^2
• Rotatable Bonds: 3