2-cyclopropyl-9-(3,5-difluoropyridine-2-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one

• ChemBase ID: 435502
• Molecular Formular: C18H21F2N3O2
• Molecular Mass: 349.3750464
• Monoisotopic Mass: 349.16018337
• SMILES: c1(C(=O)N2CCC3(CN(C(=O)CC3)C3CC3)CC2)ncc(cc1F)F
• Canonical SMILES: Fc1cnc(c(c1)F)C(=O)N1CCC2(CC1)CCC(=O)N(C2)C1CC1
• InChI: InChI=1S/C18H21F2N3O2/c19-12-9-14(20)16(21-10-12)17(25)22-7-5-18(6-8-22)4-3-15(24)23(11-18)13-1-2-13/h9-10,13H,1-8,11H2
• InChIKey: RIXOCHDMLWPAAJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-cyclopropyl-9-(3,5-difluoropyridine-2-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one
• IUPAC Traditional name: 2-cyclopropyl-9-(3,5-difluoropyridine-2-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one
• Synonyms: 2-cyclopropyl-9-[(3,5-difluoropyridin-2-yl)carbonyl]-2,9-diazaspiro[5.5]undecan-3-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.0749277
• LogD (pH = 7.4): 1.0749279
• Log P: 1.0749279
• Molar Refractivity: 87.207 cm^3
• Polarizability: 32.87653 Å^3
• Polar Surface Area: 53.51 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: -0.01
• LOG S: -3.05
• Polar Surface Area: 53.51 Å^2
• Rotatable Bonds: 2