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

• ChemBase ID: 760896
• Molecular Formular: C20H21N3O2
• Molecular Mass: 335.39964
• Monoisotopic Mass: 335.16337693
• SMILES: N1(C(CC1)c1cc(OC)ccc1)C(=O)CCc1nc2n(c1)cccc2
• Canonical SMILES: COc1cccc(c1)C1CCN1C(=O)CCc1nc2n(c1)cccc2
• InChI: InChI=1S/C20H21N3O2/c1-25-17-6-4-5-15(13-17)18-10-12-23(18)20(24)9-8-16-14-22-11-3-2-7-19(22)21-16/h2-7,11,13-14,18H,8-10,12H2,1H3
• InChIKey: ANYFFFFTLOCAJL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.1318187
• LogD (pH = 7.4): 1.8438237
• Log P: 1.8711956
• Molar Refractivity: 96.6792 cm^3
• Polarizability: 36.920204 Å^3
• Polar Surface Area: 46.84 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.53
• LOG S: -3.81
• Polar Surface Area: 46.84 Å^2
• Rotatable Bonds: 5