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

• ChemBase ID: 415662
• Molecular Formular: C20H28N4O
• Molecular Mass: 340.46252
• Monoisotopic Mass: 340.22631154
• SMILES: c12n(cc(n1)CN1CC3(CN(C(=O)CC3)CC)CCC1)cccc2C
• Canonical SMILES: CCN1CC2(CCCN(C2)Cc2cn3c(n2)c(C)ccc3)CCC1=O
• InChI: InChI=1S/C20H28N4O/c1-3-23-15-20(9-7-18(23)25)8-5-10-22(14-20)12-17-13-24-11-4-6-16(2)19(24)21-17/h4,6,11,13H,3,5,7-10,12,14-15H2,1-2H3
• InChIKey: JWPXUBBHTXPFAY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.46993595
• LogD (pH = 7.4): 1.2052581
• Log P: 1.6930982
• Molar Refractivity: 100.7548 cm^3
• Polarizability: 38.42304 Å^3
• Polar Surface Area: 40.85 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: 2.2
• LOG S: -3.56
• Polar Surface Area: 40.85 Å^2
• Rotatable Bonds: 3