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

• ChemBase ID: 541028
• Molecular Formular: C22H32N4O
• Molecular Mass: 368.51568
• Monoisotopic Mass: 368.25761166
• SMILES: c1(n2c(nc1C)cccc2)CN1CC2(CN(C(=O)CC2)CCCC)CCC1
• Canonical SMILES: CCCCN1CC2(CCCN(C2)Cc2c(C)nc3n2cccc3)CCC1=O
• InChI: InChI=1S/C22H32N4O/c1-3-4-13-25-17-22(11-9-21(25)27)10-7-12-24(16-22)15-19-18(2)23-20-8-5-6-14-26(19)20/h5-6,8,14H,3-4,7,9-13,15-17H2,1-2H3
• InChIKey: IZULFWLEKDSEOF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.9564864
• LogD (pH = 7.4): 0.96059674
• Log P: 2.1166673
• Molar Refractivity: 109.8298 cm^3
• Polarizability: 42.110477 Å^3
• Polar Surface Area: 40.85 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 3.27
• LOG S: -4.68
• Polar Surface Area: 40.85 Å^2
• Rotatable Bonds: 5