1-{6-chloro-3-fluoroimidazo[1,2-a]pyridine-2-carbonyl}-2-ethyl-2,5-dihydro-1H-pyrrole

• ChemBase ID: 408781
• Molecular Formular: C14H13ClFN3O
• Molecular Mass: 293.7239232
• Monoisotopic Mass: 293.07311795
• SMILES: c1(c(n2c(n1)ccc(c2)Cl)F)C(=O)N1C(C=CC1)CC
• Canonical SMILES: CCC1C=CCN1C(=O)c1nc2n(c1F)cc(cc2)Cl
• InChI: InChI=1S/C14H13ClFN3O/c1-2-10-4-3-7-18(10)14(20)12-13(16)19-8-9(15)5-6-11(19)17-12/h3-6,8,10H,2,7H2,1H3
• InChIKey: RPQOJYONQADFOR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-{6-chloro-3-fluoroimidazo[1,2-a]pyridine-2-carbonyl}-2-ethyl-2,5-dihydro-1H-pyrrole
• IUPAC Traditional name: 1-{6-chloro-3-fluoroimidazo[1,2-a]pyridine-2-carbonyl}-2-ethyl-2,5-dihydropyrrole
• Synonyms: 6-chloro-2-[(2-ethyl-2,5-dihydro-1H-pyrrol-1-yl)carbonyl]-3-fluoroimidazo[1,2-a]pyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.3736231
• LogD (pH = 7.4): 2.3736901
• Log P: 2.373691
• Molar Refractivity: 76.7043 cm^3
• Polarizability: 27.835897 Å^3
• Polar Surface Area: 37.61 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 1.78
• LOG S: -2.86
• Polar Surface Area: 37.61 Å^2
• Rotatable Bonds: 2