3-{5-[1-(4-chlorophenyl)cyclobutyl]-1,3,4-oxadiazol-2-yl}-N-(2-{imidazo[1,2-a]pyridin-2-yl}ethyl)propanamide

• ChemBase ID: 426976
• Molecular Formular: C24H24ClN5O2
• Molecular Mass: 449.93266
• Monoisotopic Mass: 449.16185271
• SMILES: c1(nnc(o1)CCC(=O)NCCc1nc2n(c1)cccc2)C1(c2ccc(cc2)Cl)CCC1
• Canonical SMILES: O=C(CCc1nnc(o1)C1(CCC1)c1ccc(cc1)Cl)NCCc1nc2n(c1)cccc2
• InChI: InChI=1S/C24H24ClN5O2/c25-18-7-5-17(6-8-18)24(12-3-13-24)23-29-28-22(32-23)10-9-21(31)26-14-11-19-16-30-15-2-1-4-20(30)27-19/h1-2,4-8,15-16H,3,9-14H2,(H,26,31)
• InChIKey: XWCOLDWVAHVTML-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-{5-[1-(4-chlorophenyl)cyclobutyl]-1,3,4-oxadiazol-2-yl}-N-(2-{imidazo[1,2-a]pyridin-2-yl}ethyl)propanamide
• IUPAC Traditional name: 3-{5-[1-(4-chlorophenyl)cyclobutyl]-1,3,4-oxadiazol-2-yl}-N-(2-{imidazo[1,2-a]pyridin-2-yl}ethyl)propanamide
• Synonyms: 3-{5-[1-(4-chlorophenyl)cyclobutyl]-1,3,4-oxadiazol-2-yl}-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.016293
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.0614815
• LogD (pH = 7.4): 2.7634559
• Log P: 2.7899003
• Molar Refractivity: 134.0408 cm^3
• Polarizability: 46.437157 Å^3
• Polar Surface Area: 85.32 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: 1.79
• LOG S: -7.3
• Polar Surface Area: 85.32 Å^2
• Rotatable Bonds: 8