5-[(2S)-1-{3-fluoroimidazo[1,2-a]pyridine-2-carbonyl}pyrrolidin-2-yl]-3-(propan-2-yl)-1,2,4-oxadiazole

• ChemBase ID: 831734
• Molecular Formular: C17H18FN5O2
• Molecular Mass: 343.3555232
• Monoisotopic Mass: 343.14445306
• SMILES: c1(c(n2c(n1)cccc2)F)C(=O)N1[C@H](c2nc(no2)C(C)C)CCC1
• Canonical SMILES: CC(c1noc(n1)[C@@H]1CCCN1C(=O)c1nc2n(c1F)cccc2)C
• InChI: InChI=1S/C17H18FN5O2/c1-10(2)15-20-16(25-21-15)11-6-5-9-22(11)17(24)13-14(18)23-8-4-3-7-12(23)19-13/h3-4,7-8,10-11H,5-6,9H2,1-2H3/t11-/m0/s1
• InChIKey: JZKLKTLMKWKAAN-NSHDSACASA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-[(2S)-1-{3-fluoroimidazo[1,2-a]pyridine-2-carbonyl}pyrrolidin-2-yl]-3-(propan-2-yl)-1,2,4-oxadiazole
• IUPAC Traditional name: 5-[(2S)-1-{3-fluoroimidazo[1,2-a]pyridine-2-carbonyl}pyrrolidin-2-yl]-3-isopropyl-1,2,4-oxadiazole
• Synonyms: 3-fluoro-2-{[(2S)-2-(3-isopropyl-1,2,4-oxadiazol-5-yl)-1-pyrrolidinyl]carbonyl}imidazo[1,2-a]pyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.4355104
• LogD (pH = 7.4): 2.4355824
• Log P: 2.435583
• Molar Refractivity: 90.2749 cm^3
• Polarizability: 32.703003 Å^3
• Polar Surface Area: 76.53 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 0.3
• LOG S: -3.27
• Polar Surface Area: 76.53 Å^2
• Rotatable Bonds: 3