1-{2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl}-3-(2-methoxyphenoxy)azetidine

• ChemBase ID: 689827
• Molecular Formular: C20H21N3O3
• Molecular Mass: 351.39904
• Monoisotopic Mass: 351.15829155
• SMILES: c1(n2c(nc1C)ccc(c2)C)C(=O)N1CC(C1)Oc1c(OC)cccc1
• Canonical SMILES: COc1ccccc1OC1CN(C1)C(=O)c1c(C)nc2n1cc(C)cc2
• InChI: InChI=1S/C20H21N3O3/c1-13-8-9-18-21-14(2)19(23(18)10-13)20(24)22-11-15(12-22)26-17-7-5-4-6-16(17)25-3/h4-10,15H,11-12H2,1-3H3
• InChIKey: BRNWZQARUDCHDG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-{2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl}-3-(2-methoxyphenoxy)azetidine
• IUPAC Traditional name: 1-{2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl}-3-(2-methoxyphenoxy)azetidine
• Synonyms: 3-{[3-(2-methoxyphenoxy)-1-azetidinyl]carbonyl}-2,6-dimethylimidazo[1,2-a]pyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.8768682
• LogD (pH = 7.4): 1.9952006
• Log P: 1.996955
• Molar Refractivity: 99.035 cm^3
• Polarizability: 37.248264 Å^3
• Polar Surface Area: 56.07 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.28
• LOG S: -3.71
• Polar Surface Area: 56.07 Å^2
• Rotatable Bonds: 4