2-ethyl-9-{3-fluoroimidazo[1,2-a]pyridine-2-carbonyl}-2,9-diazaspiro[5.5]undecan-3-one

• ChemBase ID: 729104
• Molecular Formular: C19H23FN4O2
• Molecular Mass: 358.4099232
• Monoisotopic Mass: 358.18050422
• SMILES: c1(c(n2c(n1)cccc2)F)C(=O)N1CCC2(CN(C(=O)CC2)CC)CC1
• Canonical SMILES: CCN1CC2(CCC1=O)CCN(CC2)C(=O)c1nc2n(c1F)cccc2
• InChI: InChI=1S/C19H23FN4O2/c1-2-22-13-19(7-6-15(22)25)8-11-23(12-9-19)18(26)16-17(20)24-10-4-3-5-14(24)21-16/h3-5,10H,2,6-9,11-13H2,1H3
• InChIKey: HLKIOEGXCACYMZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-ethyl-9-{3-fluoroimidazo[1,2-a]pyridine-2-carbonyl}-2,9-diazaspiro[5.5]undecan-3-one
• IUPAC Traditional name: 2-ethyl-9-{3-fluoroimidazo[1,2-a]pyridine-2-carbonyl}-2,9-diazaspiro[5.5]undecan-3-one
• Synonyms: 2-ethyl-9-[(3-fluoroimidazo[1,2-a]pyridin-2-yl)carbonyl]-2,9-diazaspiro[5.5]undecan-3-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.716137
• LogD (pH = 7.4): 0.71620864
• Log P: 0.71620953
• Molar Refractivity: 96.5178 cm^3
• Polarizability: 35.86127 Å^3
• Polar Surface Area: 57.92 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: 0.59
• LOG S: -2.32
• Polar Surface Area: 57.92 Å^2
• Rotatable Bonds: 2