3-(1-{[2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]methyl}azetidin-3-yl)pyridine

• ChemBase ID: 549823
• Molecular Formular: C23H22N4O
• Molecular Mass: 370.44698
• Monoisotopic Mass: 370.17936134
• SMILES: c1(n2c(nc1c1ccc(cc1)OC)cccc2)CN1CC(C1)c1cnccc1
• Canonical SMILES: COc1ccc(cc1)c1nc2n(c1CN1CC(C1)c1cccnc1)cccc2
• InChI: InChI=1S/C23H22N4O/c1-28-20-9-7-17(8-10-20)23-21(27-12-3-2-6-22(27)25-23)16-26-14-19(15-26)18-5-4-11-24-13-18/h2-13,19H,14-16H2,1H3
• InChIKey: LSZAOLMLHHXSQR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(1-{[2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]methyl}azetidin-3-yl)pyridine
• IUPAC Traditional name: 3-(1-{[2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]methyl}azetidin-3-yl)pyridine
• Synonyms: 2-(4-methoxyphenyl)-3-{[3-(3-pyridinyl)-1-azetidinyl]methyl}imidazo[1,2-a]pyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.0776046
• LogD (pH = 7.4): 1.9258312
• Log P: 2.7802417
• Molar Refractivity: 110.8349 cm^3
• Polarizability: 43.58215 Å^3
• Polar Surface Area: 42.66 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.54
• LOG S: -1.76
• Polar Surface Area: 42.66 Å^2
• Rotatable Bonds: 5