potassium;tert-butyl (2R)-4,4-difluoro-2-[3-[5-(2-pyridin-2-ylethynyl)-2-pyridinyl]-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxylate;1-O-tert-butyl 2-O-methyl (2R)-4,4-difluoropyrrolidine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl (2R,4R)-4-hydroxypyrrolidine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl (2R)-4-oxopyrrolidine-1,2-dicarboxylate;(2R)-4,4-difluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;N-ethyl-N-(trifluoro-λ4-sulfanyl)ethanamine;(2R,4R)-4-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;N'-hydroxy-5-(2-pyridin-2-ylethynyl)pyridine-2-carboximidamide;hydroxide

C93H127F9KN15O28S — CID 172948968

About potassium;tert-butyl (2R)-4,4-difluoro-2-[3-[5-(2-pyridin-2-ylethynyl)-2-pyridinyl]-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxylate;1-O-tert-butyl 2-O-methyl (2R)-4,4-difluoropyrrolidine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl (2R,4R)-4-hydroxypyrrolidine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl (2R)-4-oxopyrrolidine-1,2-dicarboxylate;(2R)-4,4-difluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;N-ethyl-N-(trifluoro-λ4-sulfanyl)ethanamine;(2R,4R)-4-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;N'-hydroxy-5-(2-pyridin-2-ylethynyl)pyridine-2-carboximidamide;hydroxide

potassium;tert-butyl (2R)-4,4-difluoro-2-[3-[5-(2-pyridin-2-ylethynyl)-2-pyridinyl]-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxylate;1-O-tert-butyl 2-O-methyl (2R)-4,4-difluoropyrrolidine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl (2R,4R)-4-hydroxypyrrolidine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl (2R)-4-oxopyrrolidine-1,2-dicarboxylate;(2R)-4,4-difluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;N-ethyl-N-(trifluoro-λ4-sulfanyl)ethanamine;(2R,4R)-4-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;N'-hydroxy-5-(2-pyridin-2-ylethynyl)pyridine-2-carboximidamide;hydroxide (PubChem CID 172948968) has the molecular formula C93H127F9KN15O28S and a molecular weight of 2145.26 g/mol. Its IUPAC name is potassium;tert-butyl (2R)-4,4-difluoro-2-[3-[5-(2-pyridin-2-ylethynyl)-2-pyridinyl]-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxylate;1-O-tert-butyl 2-O-methyl (2R)-4,4-difluoropyrrolidine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl (2R,4R)-4-hydroxypyrrolidine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl (2R)-4-oxopyrrolidine-1,2-dicarboxylate;(2R)-4,4-difluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;N-ethyl-N-(trifluoro-λ4-sulfanyl)ethanamine;(2R,4R)-4-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;N'-hydroxy-5-(2-pyridin-2-ylethynyl)pyridine-2-carboximidamide;hydroxide.

Molecular Properties

• Compound Name: potassium;tert-butyl (2R)-4,4-difluoro-2-[3-[5-(2-pyridin-2-ylethynyl)-2-pyridinyl]-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxylate;1-O-tert-butyl 2-O-methyl (2R)-4,4-difluoropyrrolidine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl (2R,4R)-4-hydroxypyrrolidine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl (2R)-4-oxopyrrolidine-1,2-dicarboxylate;(2R)-4,4-difluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;N-ethyl-N-(trifluoro-λ4-sulfanyl)ethanamine;(2R,4R)-4-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;N'-hydroxy-5-(2-pyridin-2-ylethynyl)pyridine-2-carboximidamide;hydroxide
• PubChem CID: 172948968
• Molecular Formula: C93H127F9KN15O28S
• Molecular Weight: 2145.26 g/mol
• Exact Mass: 2143.82
• IUPAC Name: potassium;tert-butyl (2R)-4,4-difluoro-2-[3-[5-(2-pyridin-2-ylethynyl)-2-pyridinyl]-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxylate;1-O-tert-butyl 2-O-methyl (2R)-4,4-difluoropyrrolidine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl (2R,4R)-4-hydroxypyrrolidine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl (2R)-4-oxopyrrolidine-1,2-dicarboxylate;(2R)-4,4-difluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;N-ethyl-N-(trifluoro-λ4-sulfanyl)ethanamine;(2R,4R)-4-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;N'-hydroxy-5-(2-pyridin-2-ylethynyl)pyridine-2-carboximidamide;hydroxide
• SMILES: CC(C)(C)OC(=O)N1CC(F)(F)C[C@@H]1C(=O)O.CC(C)(C)OC(=O)N1CC(F)(F)C[C@@H]1c1nc(-c2ccc(C#Cc3ccccn3)cn2)no1.CC(C)(C)OC(=O)N1C[C@H](O)C[C@@H]1C(=O)O.CCN(CC)S(F)(F)F.COC(=O)[C@H]1CC(=O)CN1C(=O)OC(C)(C)C.COC(=O)[C@H]1CC(F)(F)CN1C(=O)OC(C)(C)C.COC(=O)[C@H]1C[C@@H](O)CN1C(=O)OC(C)(C)C.N/C(=N\O)c1ccc(C#Cc2ccccn2)cn1.[K+].[OH-]
• InChI: InChI=1S/C23H21F2N5O3.C13H10N4O.C11H17F2NO4.C11H19NO5.C11H17NO5.C10H15F2NO4.C10H17NO5.C4H10F3NS.K.H2O/c1-22(2,3)32-21(31)30-14-23(24,25)12-18(30)20-28-19(29-33-20)17-10-8-15(13-27-17)7-9-16-6-4-5-11-26-16;14-13(17-18)12-7-5-10(9-16-12)4-6-11-3-1-2-8-15-11;1-10(2,3)18-9(16)14-6-11(12,13)5-7(14)8(15)17-4;2*1-11(2,3)17-10(15)12-6-7(13)5-8(12)9(14)16-4;1-9(2,3)17-8(16)13-5-10(11,12)4-6(13)7(14)15;1-10(2,3)16-9(15)11-5-6(12)4-7(11)8(13)14;1-3-8(4-2)9(5,6)7;;/h4-6,8,10-11,13,18H,12,14H2,1-3H3;1-3,5,7-9,18H,(H2,14,17);7H,5-6H2,1-4H3;7-8,13H,5-6H2,1-4H3;8H,5-6H2,1-4H3;6H,4-5H2,1-3H3,(H,14,15);6-7,12H,4-5H2,1-3H3,(H,13,14);3-4H2,1-2H3;;1H2/q;;;;;;;;+1;/p-1/t18-;;7-;7-,8-;8-;6-;6-,7-;;;/m1.11111.../s1
• InChIKey: TVDBFWKXJCENEC-STGMZIFTSA-M
• XLogP: 9.97
• TPSA: 570.60 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 34
• Rotatable Bonds: 11
• Heavy Atoms: 147
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2145.26
LogP ≤ 5	9.97
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	34

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of potassium;tert-butyl (2R)-4,4-difluoro-2-[3-[5-(2-pyridin-2-ylethynyl)-2-pyridinyl]-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxylate;1-O-tert-butyl 2-O-methyl (2R)-4,4-difluoropyrrolidine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl (2R,4R)-4-hydroxypyrrolidine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl (2R)-4-oxopyrrolidine-1,2-dicarboxylate;(2R)-4,4-difluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;N-ethyl-N-(trifluoro-λ4-sulfanyl)ethanamine;(2R,4R)-4-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;N'-hydroxy-5-(2-pyridin-2-ylethynyl)pyridine-2-carboximidamide;hydroxide?

The IUPAC name of potassium;tert-butyl (2R)-4,4-difluoro-2-[3-[5-(2-pyridin-2-ylethynyl)-2-pyridinyl]-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxylate;1-O-tert-butyl 2-O-methyl (2R)-4,4-difluoropyrrolidine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl (2R,4R)-4-hydroxypyrrolidine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl (2R)-4-oxopyrrolidine-1,2-dicarboxylate;(2R)-4,4-difluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;N-ethyl-N-(trifluoro-λ4-sulfanyl)ethanamine;(2R,4R)-4-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;N'-hydroxy-5-(2-pyridin-2-ylethynyl)pyridine-2-carboximidamide;hydroxide (CID 172948968) is potassium;tert-butyl (2R)-4,4-difluoro-2-[3-[5-(2-pyridin-2-ylethynyl)-2-pyridinyl]-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxylate;1-O-tert-butyl 2-O-methyl (2R)-4,4-difluoropyrrolidine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl (2R,4R)-4-hydroxypyrrolidine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl (2R)-4-oxopyrrolidine-1,2-dicarboxylate;(2R)-4,4-difluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;N-ethyl-N-(trifluoro-λ4-sulfanyl)ethanamine;(2R,4R)-4-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;N'-hydroxy-5-(2-pyridin-2-ylethynyl)pyridine-2-carboximidamide;hydroxide.

What is the SMILES notation for potassium;tert-butyl (2R)-4,4-difluoro-2-[3-[5-(2-pyridin-2-ylethynyl)-2-pyridinyl]-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxylate;1-O-tert-butyl 2-O-methyl (2R)-4,4-difluoropyrrolidine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl (2R,4R)-4-hydroxypyrrolidine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl (2R)-4-oxopyrrolidine-1,2-dicarboxylate;(2R)-4,4-difluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;N-ethyl-N-(trifluoro-λ4-sulfanyl)ethanamine;(2R,4R)-4-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;N'-hydroxy-5-(2-pyridin-2-ylethynyl)pyridine-2-carboximidamide;hydroxide?

The canonical SMILES for potassium;tert-butyl (2R)-4,4-difluoro-2-[3-[5-(2-pyridin-2-ylethynyl)-2-pyridinyl]-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxylate;1-O-tert-butyl 2-O-methyl (2R)-4,4-difluoropyrrolidine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl (2R,4R)-4-hydroxypyrrolidine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl (2R)-4-oxopyrrolidine-1,2-dicarboxylate;(2R)-4,4-difluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;N-ethyl-N-(trifluoro-λ4-sulfanyl)ethanamine;(2R,4R)-4-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;N'-hydroxy-5-(2-pyridin-2-ylethynyl)pyridine-2-carboximidamide;hydroxide is CC(C)(C)OC(=O)N1CC(F)(F)C[C@@H]1C(=O)O.CC(C)(C)OC(=O)N1CC(F)(F)C[C@@H]1c1nc(-c2ccc(C#Cc3ccccn3)cn2)no1.CC(C)(C)OC(=O)N1C[C@H](O)C[C@@H]1C(=O)O.CCN(CC)S(F)(F)F.COC(=O)[C@H]1CC(=O)CN1C(=O)OC(C)(C)C.COC(=O)[C@H]1CC(F)(F)CN1C(=O)OC(C)(C)C.COC(=O)[C@H]1C[C@@H](O)CN1C(=O)OC(C)(C)C.N/C(=N\O)c1ccc(C#Cc2ccccn2)cn1.[K+].[OH-].

What is the InChIKey of potassium;tert-butyl (2R)-4,4-difluoro-2-[3-[5-(2-pyridin-2-ylethynyl)-2-pyridinyl]-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxylate;1-O-tert-butyl 2-O-methyl (2R)-4,4-difluoropyrrolidine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl (2R,4R)-4-hydroxypyrrolidine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl (2R)-4-oxopyrrolidine-1,2-dicarboxylate;(2R)-4,4-difluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;N-ethyl-N-(trifluoro-λ4-sulfanyl)ethanamine;(2R,4R)-4-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;N'-hydroxy-5-(2-pyridin-2-ylethynyl)pyridine-2-carboximidamide;hydroxide?

The InChIKey is TVDBFWKXJCENEC-STGMZIFTSA-M. The full InChI is InChI=1S/C23H21F2N5O3.C13H10N4O.C11H17F2NO4.C11H19NO5.C11H17NO5.C10H15F2NO4.C10H17NO5.C4H10F3NS.K.H2O/c1-22(2,3)32-21(31)30-14-23(24,25)12-18(30)20-28-19(29-33-20)17-10-8-15(13-27-17)7-9-16-6-4-5-11-26-16;14-13(17-18)12-7-5-10(9-16-12)4-6-11-3-1-2-8-15-11;1-10(2,3)18-9(16)14-6-11(12,13)5-7(14)8(15)17-4;2*1-11(2,3)17-10(15)12-6-7(13)5-8(12)9(14)16-4;1-9(2,3)17-8(16)13-5-10(11,12)4-6(13)7(14)15;1-10(2,3)16-9(15)11-5-6(12)4-7(11)8(13)14;1-3-8(4-2)9(5,6)7;;/h4-6,8,10-11,13,18H,12,14H2,1-3H3;1-3,5,7-9,18H,(H2,14,17);7H,5-6H2,1-4H3;7-8,13H,5-6H2,1-4H3;8H,5-6H2,1-4H3;6H,4-5H2,1-3H3,(H,14,15);6-7,12H,4-5H2,1-3H3,(H,13,14);3-4H2,1-2H3;;1H2/q;;;;;;;;+1;/p-1/t18-;;7-;7-,8-;8-;6-;6-,7-;;;/m1.11111.../s1.

What are the key properties of potassium;tert-butyl (2R)-4,4-difluoro-2-[3-[5-(2-pyridin-2-ylethynyl)-2-pyridinyl]-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxylate;1-O-tert-butyl 2-O-methyl (2R)-4,4-difluoropyrrolidine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl (2R,4R)-4-hydroxypyrrolidine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl (2R)-4-oxopyrrolidine-1,2-dicarboxylate;(2R)-4,4-difluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;N-ethyl-N-(trifluoro-λ4-sulfanyl)ethanamine;(2R,4R)-4-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;N'-hydroxy-5-(2-pyridin-2-ylethynyl)pyridine-2-carboximidamide;hydroxide?

potassium;tert-butyl (2R)-4,4-difluoro-2-[3-[5-(2-pyridin-2-ylethynyl)-2-pyridinyl]-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxylate;1-O-tert-butyl 2-O-methyl (2R)-4,4-difluoropyrrolidine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl (2R,4R)-4-hydroxypyrrolidine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl (2R)-4-oxopyrrolidine-1,2-dicarboxylate;(2R)-4,4-difluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;N-ethyl-N-(trifluoro-λ4-sulfanyl)ethanamine;(2R,4R)-4-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;N'-hydroxy-5-(2-pyridin-2-ylethynyl)pyridine-2-carboximidamide;hydroxide has a molecular weight of 2145.26 g/mol, XLogP of 9.97, 11 rotatable bonds, 6 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for potassium;tert-butyl (2R)-4,4-difluoro-2-[3-[5-(2-pyridin-2-ylethynyl)-2-pyridinyl]-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxylate;1-O-tert-butyl 2-O-methyl (2R)-4,4-difluoropyrrolidine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl (2R,4R)-4-hydroxypyrrolidine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl (2R)-4-oxopyrrolidine-1,2-dicarboxylate;(2R)-4,4-difluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;N-ethyl-N-(trifluoro-λ4-sulfanyl)ethanamine;(2R,4R)-4-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;N'-hydroxy-5-(2-pyridin-2-ylethynyl)pyridine-2-carboximidamide;hydroxide is sourced from PubChem (CID 172948968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).