7-(2,2-dimethylpropyl)-2-[3-(1H-pyrazol-1-yl)propyl]-2,7-diazaspiro[4.5]decan-6-one

• ChemBase ID: 337696
• Molecular Formular: C19H32N4O
• Molecular Mass: 332.48358
• Monoisotopic Mass: 332.25761166
• SMILES: C12(C(=O)N(CC(C)(C)C)CCC2)CN(CC1)CCCn1nccc1
• Canonical SMILES: O=C1N(CCCC21CCN(C2)CCCn1cccn1)CC(C)(C)C
• InChI: InChI=1S/C19H32N4O/c1-18(2,3)15-22-11-4-7-19(17(22)24)8-14-21(16-19)10-6-13-23-12-5-9-20-23/h5,9,12H,4,6-8,10-11,13-16H2,1-3H3
• InChIKey: ZKILPIVRMYIZQP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-(2,2-dimethylpropyl)-2-[3-(1H-pyrazol-1-yl)propyl]-2,7-diazaspiro[4.5]decan-6-one
• IUPAC Traditional name: 7-(2,2-dimethylpropyl)-2-[3-(pyrazol-1-yl)propyl]-2,7-diazaspiro[4.5]decan-6-one
• Synonyms: 7-(2,2-dimethylpropyl)-2-[3-(1H-pyrazol-1-yl)propyl]-2,7-diazaspiro[4.5]decan-6-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -1.4188188
• LogD (pH = 7.4): -0.63972557
• Log P: 2.0539231
• Molar Refractivity: 108.6011 cm^3
• Polarizability: 37.79781 Å^3
• Polar Surface Area: 41.37 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.59
• LOG S: -2.15
• Polar Surface Area: 41.37 Å^2
• Rotatable Bonds: 6