3-{imidazo[1,2-a]pyridin-2-yl}-1-[3-(3-methoxyphenoxy)azetidin-1-yl]propan-1-one

• ChemBase ID: 685657
• Molecular Formular: C20H21N3O3
• Molecular Mass: 351.39904
• Monoisotopic Mass: 351.15829155
• SMILES: n12c(nc(c1)CCC(=O)N1CC(C1)Oc1cc(OC)ccc1)cccc2
• Canonical SMILES: COc1cccc(c1)OC1CN(C1)C(=O)CCc1nc2n(c1)cccc2
• InChI: InChI=1S/C20H21N3O3/c1-25-16-5-4-6-17(11-16)26-18-13-23(14-18)20(24)9-8-15-12-22-10-3-2-7-19(22)21-15/h2-7,10-12,18H,8-9,13-14H2,1H3
• InChIKey: BOUBNNFSBOTMNJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-{imidazo[1,2-a]pyridin-2-yl}-1-[3-(3-methoxyphenoxy)azetidin-1-yl]propan-1-one
• IUPAC Traditional name: 3-{imidazo[1,2-a]pyridin-2-yl}-1-[3-(3-methoxyphenoxy)azetidin-1-yl]propan-1-one
• Synonyms: 2-{3-[3-(3-methoxyphenoxy)-1-azetidinyl]-3-oxopropyl}imidazo[1,2-a]pyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.99143535
• LogD (pH = 7.4): 1.7034404
• Log P: 1.7308123
• Molar Refractivity: 97.7534 cm^3
• Polarizability: 37.60545 Å^3
• Polar Surface Area: 56.07 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.16
• LOG S: -3.61
• Polar Surface Area: 56.07 Å^2
• Rotatable Bonds: 6