1-[2-(1-{3-fluoro-6-methylimidazo[1,2-a]pyridine-2-carbonyl}piperidin-2-yl)ethyl]pyrrolidin-2-one

• ChemBase ID: 660598
• Molecular Formular: C20H25FN4O2
• Molecular Mass: 372.4365032
• Monoisotopic Mass: 372.19615428
• SMILES: c1(c(n2c(n1)ccc(c2)C)F)C(=O)N1C(CCN2C(=O)CCC2)CCCC1
• Canonical SMILES: Cc1ccc2n(c1)c(F)c(n2)C(=O)N1CCCCC1CCN1CCCC1=O
• InChI: InChI=1S/C20H25FN4O2/c1-14-7-8-16-22-18(19(21)25(16)13-14)20(27)24-11-3-2-5-15(24)9-12-23-10-4-6-17(23)26/h7-8,13,15H,2-6,9-12H2,1H3
• InChIKey: ZGFWMPZHTUUISW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[2-(1-{3-fluoro-6-methylimidazo[1,2-a]pyridine-2-carbonyl}piperidin-2-yl)ethyl]pyrrolidin-2-one
• IUPAC Traditional name: 1-[2-(1-{3-fluoro-6-methylimidazo[1,2-a]pyridine-2-carbonyl}piperidin-2-yl)ethyl]pyrrolidin-2-one
• Synonyms: 1-(2-{1-[(3-fluoro-6-methylimidazo[1,2-a]pyridin-2-yl)carbonyl]-2-piperidinyl}ethyl)-2-pyrrolidinone

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.4307687
• LogD (pH = 7.4): 1.4309126
• Log P: 1.4309144
• Molar Refractivity: 101.5115 cm^3
• Polarizability: 37.616467 Å^3
• Polar Surface Area: 57.92 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 0.96
• LOG S: -2.73
• Polar Surface Area: 57.92 Å^2
• Rotatable Bonds: 4