dipotassium;sodium;2-chloro-6-[3-(2,2-dimethylpropoxy)pyrazol-1-yl]pyridine-3-carboxylic acid;6-[3-(2,2-dimethylpropoxy)pyrazol-1-yl]-N-[3-(hydroxymethyl)-1-methylpyrazol-4-yl]sulfonyl-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;hydride;iodocopper;3-methoxy-3-oxopropane-1-sulfinate;methyl 4-bromo-1-methylpyrazole-3-carboxylate;methyl 4-[[2-chloro-6-[3-(2,2-dimethylpropoxy)pyrazol-1-yl]pyridine-3-carbonyl]sulfamoyl]-1-methylpyrazole-3-carboxylate;methyl 4-(3-methoxy-3-oxopropyl)sulfonyl-1-methylpyrazole-3-carboxylate;methyl 1-methyl-4-sulfamoylpyrazole-3-carboxylate;oxido formate;sulfane;(4S)-2,2,4-trimethylpyrrolidine

C94H134BrCl2CuIK2N24NaO33S7 — CID 158909404

About dipotassium;sodium;2-chloro-6-[3-(2,2-dimethylpropoxy)pyrazol-1-yl]pyridine-3-carboxylic acid;6-[3-(2,2-dimethylpropoxy)pyrazol-1-yl]-N-[3-(hydroxymethyl)-1-methylpyrazol-4-yl]sulfonyl-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;hydride;iodocopper;3-methoxy-3-oxopropane-1-sulfinate;methyl 4-bromo-1-methylpyrazole-3-carboxylate;methyl 4-[[2-chloro-6-[3-(2,2-dimethylpropoxy)pyrazol-1-yl]pyridine-3-carbonyl]sulfamoyl]-1-methylpyrazole-3-carboxylate;methyl 4-(3-methoxy-3-oxopropyl)sulfonyl-1-methylpyrazole-3-carboxylate;methyl 1-methyl-4-sulfamoylpyrazole-3-carboxylate;oxido formate;sulfane;(4S)-2,2,4-trimethylpyrrolidine

dipotassium;sodium;2-chloro-6-[3-(2,2-dimethylpropoxy)pyrazol-1-yl]pyridine-3-carboxylic acid;6-[3-(2,2-dimethylpropoxy)pyrazol-1-yl]-N-[3-(hydroxymethyl)-1-methylpyrazol-4-yl]sulfonyl-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;hydride;iodocopper;3-methoxy-3-oxopropane-1-sulfinate;methyl 4-bromo-1-methylpyrazole-3-carboxylate;methyl 4-[[2-chloro-6-[3-(2,2-dimethylpropoxy)pyrazol-1-yl]pyridine-3-carbonyl]sulfamoyl]-1-methylpyrazole-3-carboxylate;methyl 4-(3-methoxy-3-oxopropyl)sulfonyl-1-methylpyrazole-3-carboxylate;methyl 1-methyl-4-sulfamoylpyrazole-3-carboxylate;oxido formate;sulfane;(4S)-2,2,4-trimethylpyrrolidine (PubChem CID 158909404) has the molecular formula C94H134BrCl2CuIK2N24NaO33S7 and a molecular weight of 2795.16 g/mol. Its IUPAC name is dipotassium;sodium;2-chloro-6-[3-(2,2-dimethylpropoxy)pyrazol-1-yl]pyridine-3-carboxylic acid;6-[3-(2,2-dimethylpropoxy)pyrazol-1-yl]-N-[3-(hydroxymethyl)-1-methylpyrazol-4-yl]sulfonyl-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;hydride;iodocopper;3-methoxy-3-oxopropane-1-sulfinate;methyl 4-bromo-1-methylpyrazole-3-carboxylate;methyl 4-[[2-chloro-6-[3-(2,2-dimethylpropoxy)pyrazol-1-yl]pyridine-3-carbonyl]sulfamoyl]-1-methylpyrazole-3-carboxylate;methyl 4-(3-methoxy-3-oxopropyl)sulfonyl-1-methylpyrazole-3-carboxylate;methyl 1-methyl-4-sulfamoylpyrazole-3-carboxylate;oxido formate;sulfane;(4S)-2,2,4-trimethylpyrrolidine.

Molecular Properties

• Compound Name: dipotassium;sodium;2-chloro-6-[3-(2,2-dimethylpropoxy)pyrazol-1-yl]pyridine-3-carboxylic acid;6-[3-(2,2-dimethylpropoxy)pyrazol-1-yl]-N-[3-(hydroxymethyl)-1-methylpyrazol-4-yl]sulfonyl-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;hydride;iodocopper;3-methoxy-3-oxopropane-1-sulfinate;methyl 4-bromo-1-methylpyrazole-3-carboxylate;methyl 4-[[2-chloro-6-[3-(2,2-dimethylpropoxy)pyrazol-1-yl]pyridine-3-carbonyl]sulfamoyl]-1-methylpyrazole-3-carboxylate;methyl 4-(3-methoxy-3-oxopropyl)sulfonyl-1-methylpyrazole-3-carboxylate;methyl 1-methyl-4-sulfamoylpyrazole-3-carboxylate;oxido formate;sulfane;(4S)-2,2,4-trimethylpyrrolidine
• PubChem CID: 158909404
• Molecular Formula: C94H134BrCl2CuIK2N24NaO33S7
• Molecular Weight: 2795.16 g/mol
• Exact Mass: 2790.37
• IUPAC Name: dipotassium;sodium;2-chloro-6-[3-(2,2-dimethylpropoxy)pyrazol-1-yl]pyridine-3-carboxylic acid;6-[3-(2,2-dimethylpropoxy)pyrazol-1-yl]-N-[3-(hydroxymethyl)-1-methylpyrazol-4-yl]sulfonyl-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;hydride;iodocopper;3-methoxy-3-oxopropane-1-sulfinate;methyl 4-bromo-1-methylpyrazole-3-carboxylate;methyl 4-[[2-chloro-6-[3-(2,2-dimethylpropoxy)pyrazol-1-yl]pyridine-3-carbonyl]sulfamoyl]-1-methylpyrazole-3-carboxylate;methyl 4-(3-methoxy-3-oxopropyl)sulfonyl-1-methylpyrazole-3-carboxylate;methyl 1-methyl-4-sulfamoylpyrazole-3-carboxylate;oxido formate;sulfane;(4S)-2,2,4-trimethylpyrrolidine
• SMILES: CC(C)(C)COc1ccn(-c2ccc(C(=O)O)c(Cl)n2)n1.COC(=O)CCS(=O)(=O)c1cn(C)nc1C(=O)OC.COC(=O)CCS(=O)[O-].COC(=O)c1nn(C)cc1Br.COC(=O)c1nn(C)cc1S(=O)(=O)NC(=O)c1ccc(-n2ccc(OCC(C)(C)C)n2)nc1Cl.COC(=O)c1nn(C)cc1S(N)(=O)=O.C[C@@H]1CN(c2nc(-n3ccc(OCC(C)(C)C)n3)ccc2C(=O)NS(=O)(=O)c2cn(C)nc2CO)C(C)(C)C1.C[C@@H]1CNC(C)(C)C1.O=CO[O-].S.S.[Cu]I.[H-].[K+].[K+].[Na+]
• InChI: InChI=1S/C26H37N7O5S.C20H23ClN6O6S.C14H16ClN3O3.C10H14N2O6S.C7H15N.C6H7BrN2O2.C6H9N3O4S.C4H8O4S.CH2O3.Cu.HI.2K.Na.2H2S.H/c1-17-12-26(5,6)32(13-17)23-18(24(35)30-39(36,37)20-14-31(7)28-19(20)15-34)8-9-21(27-23)33-11-10-22(29-33)38-16-25(2,3)4;1-20(2,3)11-33-15-8-9-27(23-15)14-7-6-12(17(21)22-14)18(28)25-34(30,31)13-10-26(4)24-16(13)19(29)32-5;1-14(2,3)8-21-11-6-7-18(17-11)10-5-4-9(13(19)20)12(15)16-10;1-12-6-7(9(11-12)10(14)18-3)19(15,16)5-4-8(13)17-2;1-6-4-7(2,3)8-5-6;1-9-3-4(7)5(8-9)6(10)11-2;1-9-3-4(14(7,11)12)5(8-9)6(10)13-2;1-8-4(5)2-3-9(6)7;2-1-4-3;;;;;;;;/h8-11,14,17,34H,12-13,15-16H2,1-7H3,(H,30,35);6-10H,11H2,1-5H3,(H,25,28);4-7H,8H2,1-3H3,(H,19,20);6H,4-5H2,1-3H3;6,8H,4-5H2,1-3H3;3H,1-2H3;3H,1-2H3,(H2,7,11,12);2-3H2,1H3,(H,6,7);1,3H;;1H;;;;2*1H2;/q;;;;;;;;;+1;;3*+1;;;-1/p-3/t17-;;;;6-;;;;;;;;;;;;/m0...0............/s1
• InChIKey: XCHGGTWZHVPBSS-ZAHMKHKJSA-K
• XLogP: -1.45
• TPSA: 749.79 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 53
• Rotatable Bonds: 31
• Heavy Atoms: 166
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2795.16
LogP ≤ 5	-1.45
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	53

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of dipotassium;sodium;2-chloro-6-[3-(2,2-dimethylpropoxy)pyrazol-1-yl]pyridine-3-carboxylic acid;6-[3-(2,2-dimethylpropoxy)pyrazol-1-yl]-N-[3-(hydroxymethyl)-1-methylpyrazol-4-yl]sulfonyl-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;hydride;iodocopper;3-methoxy-3-oxopropane-1-sulfinate;methyl 4-bromo-1-methylpyrazole-3-carboxylate;methyl 4-[[2-chloro-6-[3-(2,2-dimethylpropoxy)pyrazol-1-yl]pyridine-3-carbonyl]sulfamoyl]-1-methylpyrazole-3-carboxylate;methyl 4-(3-methoxy-3-oxopropyl)sulfonyl-1-methylpyrazole-3-carboxylate;methyl 1-methyl-4-sulfamoylpyrazole-3-carboxylate;oxido formate;sulfane;(4S)-2,2,4-trimethylpyrrolidine?

The IUPAC name of dipotassium;sodium;2-chloro-6-[3-(2,2-dimethylpropoxy)pyrazol-1-yl]pyridine-3-carboxylic acid;6-[3-(2,2-dimethylpropoxy)pyrazol-1-yl]-N-[3-(hydroxymethyl)-1-methylpyrazol-4-yl]sulfonyl-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;hydride;iodocopper;3-methoxy-3-oxopropane-1-sulfinate;methyl 4-bromo-1-methylpyrazole-3-carboxylate;methyl 4-[[2-chloro-6-[3-(2,2-dimethylpropoxy)pyrazol-1-yl]pyridine-3-carbonyl]sulfamoyl]-1-methylpyrazole-3-carboxylate;methyl 4-(3-methoxy-3-oxopropyl)sulfonyl-1-methylpyrazole-3-carboxylate;methyl 1-methyl-4-sulfamoylpyrazole-3-carboxylate;oxido formate;sulfane;(4S)-2,2,4-trimethylpyrrolidine (CID 158909404) is dipotassium;sodium;2-chloro-6-[3-(2,2-dimethylpropoxy)pyrazol-1-yl]pyridine-3-carboxylic acid;6-[3-(2,2-dimethylpropoxy)pyrazol-1-yl]-N-[3-(hydroxymethyl)-1-methylpyrazol-4-yl]sulfonyl-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;hydride;iodocopper;3-methoxy-3-oxopropane-1-sulfinate;methyl 4-bromo-1-methylpyrazole-3-carboxylate;methyl 4-[[2-chloro-6-[3-(2,2-dimethylpropoxy)pyrazol-1-yl]pyridine-3-carbonyl]sulfamoyl]-1-methylpyrazole-3-carboxylate;methyl 4-(3-methoxy-3-oxopropyl)sulfonyl-1-methylpyrazole-3-carboxylate;methyl 1-methyl-4-sulfamoylpyrazole-3-carboxylate;oxido formate;sulfane;(4S)-2,2,4-trimethylpyrrolidine.

What is the SMILES notation for dipotassium;sodium;2-chloro-6-[3-(2,2-dimethylpropoxy)pyrazol-1-yl]pyridine-3-carboxylic acid;6-[3-(2,2-dimethylpropoxy)pyrazol-1-yl]-N-[3-(hydroxymethyl)-1-methylpyrazol-4-yl]sulfonyl-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;hydride;iodocopper;3-methoxy-3-oxopropane-1-sulfinate;methyl 4-bromo-1-methylpyrazole-3-carboxylate;methyl 4-[[2-chloro-6-[3-(2,2-dimethylpropoxy)pyrazol-1-yl]pyridine-3-carbonyl]sulfamoyl]-1-methylpyrazole-3-carboxylate;methyl 4-(3-methoxy-3-oxopropyl)sulfonyl-1-methylpyrazole-3-carboxylate;methyl 1-methyl-4-sulfamoylpyrazole-3-carboxylate;oxido formate;sulfane;(4S)-2,2,4-trimethylpyrrolidine?

The canonical SMILES for dipotassium;sodium;2-chloro-6-[3-(2,2-dimethylpropoxy)pyrazol-1-yl]pyridine-3-carboxylic acid;6-[3-(2,2-dimethylpropoxy)pyrazol-1-yl]-N-[3-(hydroxymethyl)-1-methylpyrazol-4-yl]sulfonyl-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;hydride;iodocopper;3-methoxy-3-oxopropane-1-sulfinate;methyl 4-bromo-1-methylpyrazole-3-carboxylate;methyl 4-[[2-chloro-6-[3-(2,2-dimethylpropoxy)pyrazol-1-yl]pyridine-3-carbonyl]sulfamoyl]-1-methylpyrazole-3-carboxylate;methyl 4-(3-methoxy-3-oxopropyl)sulfonyl-1-methylpyrazole-3-carboxylate;methyl 1-methyl-4-sulfamoylpyrazole-3-carboxylate;oxido formate;sulfane;(4S)-2,2,4-trimethylpyrrolidine is CC(C)(C)COc1ccn(-c2ccc(C(=O)O)c(Cl)n2)n1.COC(=O)CCS(=O)(=O)c1cn(C)nc1C(=O)OC.COC(=O)CCS(=O)[O-].COC(=O)c1nn(C)cc1Br.COC(=O)c1nn(C)cc1S(=O)(=O)NC(=O)c1ccc(-n2ccc(OCC(C)(C)C)n2)nc1Cl.COC(=O)c1nn(C)cc1S(N)(=O)=O.C[C@@H]1CN(c2nc(-n3ccc(OCC(C)(C)C)n3)ccc2C(=O)NS(=O)(=O)c2cn(C)nc2CO)C(C)(C)C1.C[C@@H]1CNC(C)(C)C1.O=CO[O-].S.S.[Cu]I.[H-].[K+].[K+].[Na+].

What is the InChIKey of dipotassium;sodium;2-chloro-6-[3-(2,2-dimethylpropoxy)pyrazol-1-yl]pyridine-3-carboxylic acid;6-[3-(2,2-dimethylpropoxy)pyrazol-1-yl]-N-[3-(hydroxymethyl)-1-methylpyrazol-4-yl]sulfonyl-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;hydride;iodocopper;3-methoxy-3-oxopropane-1-sulfinate;methyl 4-bromo-1-methylpyrazole-3-carboxylate;methyl 4-[[2-chloro-6-[3-(2,2-dimethylpropoxy)pyrazol-1-yl]pyridine-3-carbonyl]sulfamoyl]-1-methylpyrazole-3-carboxylate;methyl 4-(3-methoxy-3-oxopropyl)sulfonyl-1-methylpyrazole-3-carboxylate;methyl 1-methyl-4-sulfamoylpyrazole-3-carboxylate;oxido formate;sulfane;(4S)-2,2,4-trimethylpyrrolidine?

The InChIKey is XCHGGTWZHVPBSS-ZAHMKHKJSA-K. The full InChI is InChI=1S/C26H37N7O5S.C20H23ClN6O6S.C14H16ClN3O3.C10H14N2O6S.C7H15N.C6H7BrN2O2.C6H9N3O4S.C4H8O4S.CH2O3.Cu.HI.2K.Na.2H2S.H/c1-17-12-26(5,6)32(13-17)23-18(24(35)30-39(36,37)20-14-31(7)28-19(20)15-34)8-9-21(27-23)33-11-10-22(29-33)38-16-25(2,3)4;1-20(2,3)11-33-15-8-9-27(23-15)14-7-6-12(17(21)22-14)18(28)25-34(30,31)13-10-26(4)24-16(13)19(29)32-5;1-14(2,3)8-21-11-6-7-18(17-11)10-5-4-9(13(19)20)12(15)16-10;1-12-6-7(9(11-12)10(14)18-3)19(15,16)5-4-8(13)17-2;1-6-4-7(2,3)8-5-6;1-9-3-4(7)5(8-9)6(10)11-2;1-9-3-4(14(7,11)12)5(8-9)6(10)13-2;1-8-4(5)2-3-9(6)7;2-1-4-3;;;;;;;;/h8-11,14,17,34H,12-13,15-16H2,1-7H3,(H,30,35);6-10H,11H2,1-5H3,(H,25,28);4-7H,8H2,1-3H3,(H,19,20);6H,4-5H2,1-3H3;6,8H,4-5H2,1-3H3;3H,1-2H3;3H,1-2H3,(H2,7,11,12);2-3H2,1H3,(H,6,7);1,3H;;1H;;;;2*1H2;/q;;;;;;;;;+1;;3*+1;;;-1/p-3/t17-;;;;6-;;;;;;;;;;;;/m0...0............/s1.

What are the key properties of dipotassium;sodium;2-chloro-6-[3-(2,2-dimethylpropoxy)pyrazol-1-yl]pyridine-3-carboxylic acid;6-[3-(2,2-dimethylpropoxy)pyrazol-1-yl]-N-[3-(hydroxymethyl)-1-methylpyrazol-4-yl]sulfonyl-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;hydride;iodocopper;3-methoxy-3-oxopropane-1-sulfinate;methyl 4-bromo-1-methylpyrazole-3-carboxylate;methyl 4-[[2-chloro-6-[3-(2,2-dimethylpropoxy)pyrazol-1-yl]pyridine-3-carbonyl]sulfamoyl]-1-methylpyrazole-3-carboxylate;methyl 4-(3-methoxy-3-oxopropyl)sulfonyl-1-methylpyrazole-3-carboxylate;methyl 1-methyl-4-sulfamoylpyrazole-3-carboxylate;oxido formate;sulfane;(4S)-2,2,4-trimethylpyrrolidine?

dipotassium;sodium;2-chloro-6-[3-(2,2-dimethylpropoxy)pyrazol-1-yl]pyridine-3-carboxylic acid;6-[3-(2,2-dimethylpropoxy)pyrazol-1-yl]-N-[3-(hydroxymethyl)-1-methylpyrazol-4-yl]sulfonyl-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;hydride;iodocopper;3-methoxy-3-oxopropane-1-sulfinate;methyl 4-bromo-1-methylpyrazole-3-carboxylate;methyl 4-[[2-chloro-6-[3-(2,2-dimethylpropoxy)pyrazol-1-yl]pyridine-3-carbonyl]sulfamoyl]-1-methylpyrazole-3-carboxylate;methyl 4-(3-methoxy-3-oxopropyl)sulfonyl-1-methylpyrazole-3-carboxylate;methyl 1-methyl-4-sulfamoylpyrazole-3-carboxylate;oxido formate;sulfane;(4S)-2,2,4-trimethylpyrrolidine has a molecular weight of 2795.16 g/mol, XLogP of -1.45, 31 rotatable bonds, 6 hydrogen bond donors, and 53 hydrogen bond acceptors.

Where does this data come from?

All data for dipotassium;sodium;2-chloro-6-[3-(2,2-dimethylpropoxy)pyrazol-1-yl]pyridine-3-carboxylic acid;6-[3-(2,2-dimethylpropoxy)pyrazol-1-yl]-N-[3-(hydroxymethyl)-1-methylpyrazol-4-yl]sulfonyl-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;hydride;iodocopper;3-methoxy-3-oxopropane-1-sulfinate;methyl 4-bromo-1-methylpyrazole-3-carboxylate;methyl 4-[[2-chloro-6-[3-(2,2-dimethylpropoxy)pyrazol-1-yl]pyridine-3-carbonyl]sulfamoyl]-1-methylpyrazole-3-carboxylate;methyl 4-(3-methoxy-3-oxopropyl)sulfonyl-1-methylpyrazole-3-carboxylate;methyl 1-methyl-4-sulfamoylpyrazole-3-carboxylate;oxido formate;sulfane;(4S)-2,2,4-trimethylpyrrolidine is sourced from PubChem (CID 158909404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).