9-{8-methylimidazo[1,2-a]pyridine-2-carbonyl}-1-oxa-9-azaspiro[5.5]undecan-5-ol

• ChemBase ID: 561771
• Molecular Formular: C18H23N3O3
• Molecular Mass: 329.39352
• Monoisotopic Mass: 329.17394161
• SMILES: c1(nc2n(c1)cccc2C)C(=O)N1CCC2(CC1)OCCCC2O
• Canonical SMILES: OC1CCCOC21CCN(CC2)C(=O)c1cn2c(n1)c(C)ccc2
• InChI: InChI=1S/C18H23N3O3/c1-13-4-2-8-21-12-14(19-16(13)21)17(23)20-9-6-18(7-10-20)15(22)5-3-11-24-18/h2,4,8,12,15,22H,3,5-7,9-11H2,1H3
• InChIKey: YHPKGAGQCXPRSG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 9-{8-methylimidazo[1,2-a]pyridine-2-carbonyl}-1-oxa-9-azaspiro[5.5]undecan-5-ol
• IUPAC Traditional name: 9-{8-methylimidazo[1,2-a]pyridine-2-carbonyl}-1-oxa-9-azaspiro[5.5]undecan-5-ol
• Synonyms: 9-[(8-methylimidazo[1,2-a]pyridin-2-yl)carbonyl]-1-oxa-9-azaspiro[5.5]undecan-5-ol

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.986241
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.60921323
• LogD (pH = 7.4): 0.61712885
• Log P: 0.6172309
• Molar Refractivity: 91.346 cm^3
• Polarizability: 34.346912 Å^3
• Polar Surface Area: 67.07 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 0.62
• LOG S: -2.13
• Polar Surface Area: 67.07 Å^2
• Rotatable Bonds: 1