1-{6-chloro-3-fluoroimidazo[1,2-a]pyridine-2-carbonyl}-2-(furan-2-yl)pyrrolidine

• ChemBase ID: 316343
• Molecular Formular: C16H13ClFN3O2
• Molecular Mass: 333.7447232
• Monoisotopic Mass: 333.06803257
• SMILES: c1(c(n2c(n1)ccc(c2)Cl)F)C(=O)N1C(c2occc2)CCC1
• Canonical SMILES: Clc1ccc2n(c1)c(F)c(n2)C(=O)N1CCCC1c1ccco1
• InChI: InChI=1S/C16H13ClFN3O2/c17-10-5-6-13-19-14(15(18)21(13)9-10)16(22)20-7-1-3-11(20)12-4-2-8-23-12/h2,4-6,8-9,11H,1,3,7H2
• InChIKey: ONBWYBXVSJBJLL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-{6-chloro-3-fluoroimidazo[1,2-a]pyridine-2-carbonyl}-2-(furan-2-yl)pyrrolidine
• IUPAC Traditional name: 1-{6-chloro-3-fluoroimidazo[1,2-a]pyridine-2-carbonyl}-2-(furan-2-yl)pyrrolidine
• Synonyms: 6-chloro-3-fluoro-2-{[2-(2-furyl)pyrrolidin-1-yl]carbonyl}imidazo[1,2-a]pyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.3291192
• LogD (pH = 7.4): 2.3291864
• Log P: 2.3291872
• Molar Refractivity: 83.6266 cm^3
• Polarizability: 30.903952 Å^3
• Polar Surface Area: 50.75 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: 1.67
• LOG S: -3.06
• Polar Surface Area: 50.75 Å^2
• Rotatable Bonds: 2