2-[3-fluoro-5-(propan-2-yloxy)phenyl]-1H,4H,5H,6H,7H-imidazo[4,5-c]pyridine

• ChemBase ID: 629667
• Molecular Formular: C15H18FN3O
• Molecular Mass: 275.3213232
• Monoisotopic Mass: 275.14339043
• SMILES: n1c([nH]c2c1CNCC2)c1cc(cc(c1)F)OC(C)C
• Canonical SMILES: CC(Oc1cc(F)cc(c1)c1[nH]c2c(n1)CNCC2)C
• InChI: InChI=1S/C15H18FN3O/c1-9(2)20-12-6-10(5-11(16)7-12)15-18-13-3-4-17-8-14(13)19-15/h5-7,9,17H,3-4,8H2,1-2H3,(H,18,19)
• InChIKey: OYYJMLRQCOECBL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[3-fluoro-5-(propan-2-yloxy)phenyl]-1H,4H,5H,6H,7H-imidazo[4,5-c]pyridine
• IUPAC Traditional name: 2-(3-fluoro-5-isopropoxyphenyl)-1H,4H,5H,6H,7H-imidazo[4,5-c]pyridine
• Synonyms: 2-(3-fluoro-5-isopropoxyphenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.1111145
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -0.55134183
• LogD (pH = 7.4): 1.1751884
• Log P: 2.0089686
• Molar Refractivity: 85.9847 cm^3
• Polarizability: 29.50051 Å^3
• Polar Surface Area: 49.94 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: 2.41
• LOG S: -2.26
• Polar Surface Area: 49.94 Å^2
• Rotatable Bonds: 3