8-(5-chloro-3-fluoropyridin-2-yl)-2-(propan-2-yl)-2,8-diazaspiro[5.5]undecan-3-one

• ChemBase ID: 563431
• Molecular Formular: C17H23ClFN3O
• Molecular Mass: 339.8354232
• Monoisotopic Mass: 339.15136827
• SMILES: N1(C(=O)CCC2(C1)CN(c1ncc(cc1F)Cl)CCC2)C(C)C
• Canonical SMILES: Clc1cnc(c(c1)F)N1CCCC2(C1)CCC(=O)N(C2)C(C)C
• InChI: InChI=1S/C17H23ClFN3O/c1-12(2)22-11-17(6-4-15(22)23)5-3-7-21(10-17)16-14(19)8-13(18)9-20-16/h8-9,12H,3-7,10-11H2,1-2H3
• InChIKey: WGKYICGDISWHBA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-(5-chloro-3-fluoropyridin-2-yl)-2-(propan-2-yl)-2,8-diazaspiro[5.5]undecan-3-one
• IUPAC Traditional name: 8-(5-chloro-3-fluoropyridin-2-yl)-2-isopropyl-2,8-diazaspiro[5.5]undecan-3-one
• Synonyms: 8-(5-chloro-3-fluoro-2-pyridinyl)-2-isopropyl-2,8-diazaspiro[5.5]undecan-3-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.0184975
• LogD (pH = 7.4): 3.0186532
• Log P: 3.018655
• Molar Refractivity: 89.8399 cm^3
• Polarizability: 34.013035 Å^3
• Polar Surface Area: 36.44 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 2.99
• LOG S: -4.23
• Polar Surface Area: 36.44 Å^2
• Rotatable Bonds: 2