9-{imidazo[1,2-a]pyridine-6-carbonyl}-1-oxa-9-azaspiro[5.5]undecan-5-ol

• ChemBase ID: 349077
• Molecular Formular: C17H21N3O3
• Molecular Mass: 315.36694
• Monoisotopic Mass: 315.15829155
• SMILES: c1(C(=O)N2CCC3(CC2)OCCCC3O)cn2c(ncc2)cc1
• Canonical SMILES: OC1CCCOC21CCN(CC2)C(=O)c1ccc2n(c1)ccn2
• InChI: InChI=1S/C17H21N3O3/c21-14-2-1-11-23-17(14)5-8-19(9-6-17)16(22)13-3-4-15-18-7-10-20(15)12-13/h3-4,7,10,12,14,21H,1-2,5-6,8-9,11H2
• InChIKey: OWRLTWYHSHOKRX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 9-{imidazo[1,2-a]pyridine-6-carbonyl}-1-oxa-9-azaspiro[5.5]undecan-5-ol
• IUPAC Traditional name: 9-{imidazo[1,2-a]pyridine-6-carbonyl}-1-oxa-9-azaspiro[5.5]undecan-5-ol
• Synonyms: 9-(imidazo[1,2-a]pyridin-6-ylcarbonyl)-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): -0.9098188
• LogD (pH = 7.4): -0.30649373
• Log P: -0.2820408
• Molar Refractivity: 86.6768 cm^3
• Polarizability: 32.581036 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: -0.2
• LOG S: -2.64
• Polar Surface Area: 67.07 Å^2
• Rotatable Bonds: 1