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

• ChemBase ID: 333803
• Molecular Formular: C21H27FN4O
• Molecular Mass: 370.4636832
• Monoisotopic Mass: 370.21688972
• SMILES: C12(C(=O)N(Cc3c(F)cccc3)CCC2)CN(CC1)CCCn1nccc1
• Canonical SMILES: O=C1N(CCCC21CCN(C2)CCCn1cccn1)Cc1ccccc1F
• InChI: InChI=1S/C21H27FN4O/c22-19-7-2-1-6-18(19)16-25-12-3-8-21(20(25)27)9-15-24(17-21)11-5-14-26-13-4-10-23-26/h1-2,4,6-7,10,13H,3,5,8-9,11-12,14-17H2
• InChIKey: SLMYPDWQXGSTEA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-[(2-fluorophenyl)methyl]-2-[3-(1H-pyrazol-1-yl)propyl]-2,7-diazaspiro[4.5]decan-6-one
• IUPAC Traditional name: 7-[(2-fluorophenyl)methyl]-2-[3-(pyrazol-1-yl)propyl]-2,7-diazaspiro[4.5]decan-6-one
• Synonyms: 7-(2-fluorobenzyl)-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): -1.1718653
• LogD (pH = 7.4): -0.36822507
• Log P: 2.2987943
• Molar Refractivity: 115.2878 cm^3
• Polarizability: 39.681763 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: 2.33
• LOG S: -3.12
• Polar Surface Area: 41.37 Å^2
• Rotatable Bonds: 6