2-{3-fluoro-6-methylimidazo[1,2-a]pyridine-2-carbonyl}-2,7-diazaspiro[4.5]decan-6-one

• ChemBase ID: 613559
• Molecular Formular: C17H19FN4O2
• Molecular Mass: 330.3567632
• Monoisotopic Mass: 330.14920409
• SMILES: c1(c(n2c(n1)ccc(c2)C)F)C(=O)N1CC2(C(=O)NCCC2)CC1
• Canonical SMILES: Cc1ccc2n(c1)c(F)c(n2)C(=O)N1CCC2(C1)CCCNC2=O
• InChI: InChI=1S/C17H19FN4O2/c1-11-3-4-12-20-13(14(18)22(12)9-11)15(23)21-8-6-17(10-21)5-2-7-19-16(17)24/h3-4,9H,2,5-8,10H2,1H3,(H,19,24)
• InChIKey: DDUVXYLIRJALGZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-{3-fluoro-6-methylimidazo[1,2-a]pyridine-2-carbonyl}-2,7-diazaspiro[4.5]decan-6-one
• IUPAC Traditional name: 2-{3-fluoro-6-methylimidazo[1,2-a]pyridine-2-carbonyl}-2,7-diazaspiro[4.5]decan-6-one
• Synonyms: 2-[(3-fluoro-6-methylimidazo[1,2-a]pyridin-2-yl)carbonyl]-2,7-diazaspiro[4.5]decan-6-one

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.268608
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.71636677
• LogD (pH = 7.4): 0.7165103
• Log P: 0.7165126
• Molar Refractivity: 87.3645 cm^3
• Polarizability: 32.129757 Å^3
• Polar Surface Area: 66.71 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: -0.67
• LOG S: -2.35
• Polar Surface Area: 66.71 Å^2
• Rotatable Bonds: 1