2-ethyl-8-(2-{8-methylimidazo[1,2-a]pyridin-3-yl}acetyl)-2,8-diazaspiro[5.5]undecan-3-one

• ChemBase ID: 587494
• Molecular Formular: C21H28N4O2
• Molecular Mass: 368.47262
• Monoisotopic Mass: 368.22122616
• SMILES: c12n(c(CC(=O)N3CC4(CN(C(=O)CC4)CC)CCC3)cn1)cccc2C
• Canonical SMILES: CCN1CC2(CCCN(C2)C(=O)Cc2cnc3n2cccc3C)CCC1=O
• InChI: InChI=1S/C21H28N4O2/c1-3-23-14-21(9-7-18(23)26)8-5-10-24(15-21)19(27)12-17-13-22-20-16(2)6-4-11-25(17)20/h4,6,11,13H,3,5,7-10,12,14-15H2,1-2H3
• InChIKey: ZBSCGJJSJLDUNV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-ethyl-8-(2-{8-methylimidazo[1,2-a]pyridin-3-yl}acetyl)-2,8-diazaspiro[5.5]undecan-3-one
• IUPAC Traditional name: 2-ethyl-8-(2-{8-methylimidazo[1,2-a]pyridin-3-yl}acetyl)-2,8-diazaspiro[5.5]undecan-3-one
• Synonyms: 2-ethyl-8-[(8-methylimidazo[1,2-a]pyridin-3-yl)acetyl]-2,8-diazaspiro[5.5]undecan-3-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.07411512
• LogD (pH = 7.4): 0.81709206
• Log P: 0.8683885
• Molar Refractivity: 105.535 cm^3
• Polarizability: 39.95182 Å^3
• Polar Surface Area: 57.92 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 1.89
• LOG S: -3.5
• Polar Surface Area: 57.92 Å^2
• Rotatable Bonds: 3