5-(1-{3-fluoro-6-methylimidazo[1,2-a]pyridine-2-carbonyl}pyrrolidin-2-yl)-3-(propan-2-yl)-1,2,4-oxadiazole

• ChemBase ID: 632542
• Molecular Formular: C18H20FN5O2
• Molecular Mass: 357.3821032
• Monoisotopic Mass: 357.16010313
• SMILES: c1(c(n2c(n1)ccc(c2)C)F)C(=O)N1C(c2nc(no2)C(C)C)CCC1
• Canonical SMILES: Cc1ccc2n(c1)c(F)c(n2)C(=O)N1CCCC1c1onc(n1)C(C)C
• InChI: InChI=1S/C18H20FN5O2/c1-10(2)16-21-17(26-22-16)12-5-4-8-23(12)18(25)14-15(19)24-9-11(3)6-7-13(24)20-14/h6-7,9-10,12H,4-5,8H2,1-3H3
• InChIKey: WMNQADOKHHQPAK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(1-{3-fluoro-6-methylimidazo[1,2-a]pyridine-2-carbonyl}pyrrolidin-2-yl)-3-(propan-2-yl)-1,2,4-oxadiazole
• IUPAC Traditional name: 5-(1-{3-fluoro-6-methylimidazo[1,2-a]pyridine-2-carbonyl}pyrrolidin-2-yl)-3-isopropyl-1,2,4-oxadiazole
• Synonyms: 3-fluoro-2-{[2-(3-isopropyl-1,2,4-oxadiazol-5-yl)-1-pyrrolidinyl]carbonyl}-6-methylimidazo[1,2-a]pyridine

CALCULATED PROPERTIES

供应商提供(Chembridge)

• H Donor: 0
• Log P: 0.76
• LOG S: -2.46
• Polar Surface Area: 76.53 Å^2
• Rotatable Bonds: 3
• H Acceptors: 5

JChem

• LogD (pH = 5.5): 2.9352436
• LogD (pH = 7.4): 2.9353883
• Log P: 2.93539
• Molar Refractivity: 95.3161 cm^3
• Polarizability: 34.4533 Å^3
• Polar Surface Area: 76.53 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true
• H Acceptors: 4
• H Donor: 0