9-{2,7-dimethylimidazo[1,2-a]pyridine-3-carbonyl}-3-oxa-9-azaspiro[5.5]undecane

• ChemBase ID: 532085
• Molecular Formular: C19H25N3O2
• Molecular Mass: 327.4207
• Monoisotopic Mass: 327.19467706
• SMILES: c1(n2c(nc1C)cc(cc2)C)C(=O)N1CCC2(CC1)CCOCC2
• Canonical SMILES: Cc1ccn2c(c1)nc(c2C(=O)N1CCC2(CC1)CCOCC2)C
• InChI: InChI=1S/C19H25N3O2/c1-14-3-8-22-16(13-14)20-15(2)17(22)18(23)21-9-4-19(5-10-21)6-11-24-12-7-19/h3,8,13H,4-7,9-12H2,1-2H3
• InChIKey: NXTASWAWHKHMFC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 9-{2,7-dimethylimidazo[1,2-a]pyridine-3-carbonyl}-3-oxa-9-azaspiro[5.5]undecane
• IUPAC Traditional name: 9-{2,7-dimethylimidazo[1,2-a]pyridine-3-carbonyl}-3-oxa-9-azaspiro[5.5]undecane
• Synonyms: 9-[(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)carbonyl]-3-oxa-9-azaspiro[5.5]undecane

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.1663681
• LogD (pH = 7.4): 1.2362772
• Log P: 1.2372506
• Molar Refractivity: 95.0334 cm^3
• Polarizability: 35.46867 Å^3
• Polar Surface Area: 46.84 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 1.76
• LOG S: -3.09
• Polar Surface Area: 46.84 Å^2
• Rotatable Bonds: 1