9-{imidazo[1,2-a]pyridine-2-carbonyl}-5-methoxy-1-oxa-9-azaspiro[5.5]undecane

• ChemBase ID: 764744
• Molecular Formular: C18H23N3O3
• Molecular Mass: 329.39352
• Monoisotopic Mass: 329.17394161
• SMILES: c1(nc2n(c1)cccc2)C(=O)N1CCC2(CC1)OCCCC2OC
• Canonical SMILES: COC1CCCOC21CCN(CC2)C(=O)c1nc2n(c1)cccc2
• InChI: InChI=1S/C18H23N3O3/c1-23-15-5-4-12-24-18(15)7-10-20(11-8-18)17(22)14-13-21-9-3-2-6-16(21)19-14/h2-3,6,9,13,15H,4-5,7-8,10-12H2,1H3
• InChIKey: OZRIVSQGBGMEFZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 9-{imidazo[1,2-a]pyridine-2-carbonyl}-5-methoxy-1-oxa-9-azaspiro[5.5]undecane
• IUPAC Traditional name: 9-{imidazo[1,2-a]pyridine-2-carbonyl}-5-methoxy-1-oxa-9-azaspiro[5.5]undecane
• Synonyms: 9-(imidazo[1,2-a]pyridin-2-ylcarbonyl)-5-methoxy-1-oxa-9-azaspiro[5.5]undecane

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.7424474
• LogD (pH = 7.4): 0.7468792
• Log P: 0.746936
• Molar Refractivity: 91.056 cm^3
• Polarizability: 34.49311 Å^3
• Polar Surface Area: 56.07 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 0.85
• LOG S: -2.33
• Polar Surface Area: 56.07 Å^2
• Rotatable Bonds: 2