2-(3-fluoropyridin-4-yl)-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one

• ChemBase ID: 426813
• Molecular Formular: C18H24FN3O2
• Molecular Mass: 333.4004632
• Monoisotopic Mass: 333.18525524
• SMILES: C12(C(=O)N(C3CCOCC3)CCC2)CN(c2c(F)cncc2)CC1
• Canonical SMILES: Fc1cnccc1N1CCC2(C1)CCCN(C2=O)C1CCOCC1
• InChI: InChI=1S/C18H24FN3O2/c19-15-12-20-7-2-16(15)21-9-6-18(13-21)5-1-8-22(17(18)23)14-3-10-24-11-4-14/h2,7,12,14H,1,3-6,8-11,13H2
• InChIKey: HSEQWFQIPCDBRD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(3-fluoropyridin-4-yl)-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one
• IUPAC Traditional name: 2-(3-fluoropyridin-4-yl)-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one
• Synonyms: 2-(3-fluoro-4-pyridinyl)-7-(tetrahydro-2H-pyran-4-yl)-2,7-diazaspiro[4.5]decan-6-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.24384104
• LogD (pH = 7.4): 0.8852063
• Log P: 0.91941434
• Molar Refractivity: 89.6345 cm^3
• Polarizability: 33.927837 Å^3
• Polar Surface Area: 45.67 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 1.29
• LOG S: -2.73
• Polar Surface Area: 45.67 Å^2
• Rotatable Bonds: 2