9-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]-2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one

• ChemBase ID: 476645
• Molecular Formular: C23H32N4O
• Molecular Mass: 380.52638
• Monoisotopic Mass: 380.25761166
• SMILES: c1(c(nn(c1)C)C)CN1CCC2(CN(C(=O)C(C2)c2ccccc2)CC)CC1
• Canonical SMILES: CCN1CC2(CCN(CC2)Cc2cn(nc2C)C)CC(C1=O)c1ccccc1
• InChI: InChI=1S/C23H32N4O/c1-4-27-17-23(14-21(22(27)28)19-8-6-5-7-9-19)10-12-26(13-11-23)16-20-15-25(3)24-18(20)2/h5-9,15,21H,4,10-14,16-17H2,1-3H3
• InChIKey: FNDUOGGICKEDCY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 9-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]-2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one
• IUPAC Traditional name: 9-[(1,3-dimethylpyrazol-4-yl)methyl]-2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one
• Synonyms: 9-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]-2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.510206
• LogD (pH = 7.4): 1.2351991
• Log P: 2.3920143
• Molar Refractivity: 124.6758 cm^3
• Polarizability: 43.62938 Å^3
• Polar Surface Area: 41.37 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: 2.51
• LOG S: -4.12
• Polar Surface Area: 41.37 Å^2
• Rotatable Bonds: 4