2-butyl-8-{imidazo[1,2-a]pyridine-3-carbonyl}-2,8-diazaspiro[5.5]undecan-3-one

• ChemBase ID: 734472
• Molecular Formular: C21H28N4O2
• Molecular Mass: 368.47262
• Monoisotopic Mass: 368.22122616
• SMILES: c1(n2c(nc1)cccc2)C(=O)N1CC2(CN(C(=O)CC2)CCCC)CCC1
• Canonical SMILES: CCCCN1CC2(CCCN(C2)C(=O)c2cnc3n2cccc3)CCC1=O
• InChI: InChI=1S/C21H28N4O2/c1-2-3-11-23-15-21(10-8-19(23)26)9-6-12-24(16-21)20(27)17-14-22-18-7-4-5-13-25(17)18/h4-5,7,13-14H,2-3,6,8-12,15-16H2,1H3
• InChIKey: GTXDCFNCQJQKIC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-butyl-8-{imidazo[1,2-a]pyridine-3-carbonyl}-2,8-diazaspiro[5.5]undecan-3-one
• IUPAC Traditional name: 2-butyl-8-{imidazo[1,2-a]pyridine-3-carbonyl}-2,8-diazaspiro[5.5]undecan-3-one
• Synonyms: 2-butyl-8-(imidazo[1,2-a]pyridin-3-ylcarbonyl)-2,8-diazaspiro[5.5]undecan-3-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.260091
• LogD (pH = 7.4): 1.3407394
• Log P: 1.3418928
• Molar Refractivity: 105.5674 cm^3
• Polarizability: 39.822933 Å^3
• Polar Surface Area: 57.92 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.18
• LOG S: -3.75
• Polar Surface Area: 57.92 Å^2
• Rotatable Bonds: 4