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

• ChemBase ID: 356643
• Molecular Formular: C22H20FN5O
• Molecular Mass: 389.4255032
• Monoisotopic Mass: 389.16518851
• SMILES: n1c(c(oc1c1ccc(cc1)F)C)CN1C(c2c(nc[nH]2)CC1)c1cnccc1
• Canonical SMILES: Fc1ccc(cc1)c1oc(c(n1)CN1CCc2c(C1c1cccnc1)[nH]cn2)C
• InChI: InChI=1S/C22H20FN5O/c1-14-19(27-22(29-14)15-4-6-17(23)7-5-15)12-28-10-8-18-20(26-13-25-18)21(28)16-3-2-9-24-11-16/h2-7,9,11,13,21H,8,10,12H2,1H3,(H,25,26)
• InChIKey: LJTYSUZJQNZFMH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.550628
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.6207637
• LogD (pH = 7.4): 2.4309802
• Log P: 2.4673233
• Molar Refractivity: 117.5582 cm^3
• Polarizability: 41.18117 Å^3
• Polar Surface Area: 70.84 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 1.84
• LOG S: -4.33
• Polar Surface Area: 70.84 Å^2
• Rotatable Bonds: 4