dipotassium;N-(benzenesulfonyl)-2-chloro-6-[3-[(1R,2S)-2-(trifluoromethyl)cyclopropyl]oxypyrazol-1-yl]pyridine-3-carboxamide;N-(benzenesulfonyl)-2-chloro-6-[3-[(1S,2R)-2-(trifluoromethyl)cyclopropyl]oxypyrazol-1-yl]pyridine-3-carboxamide;N-(benzenesulfonyl)-6-[3-[(1R,2S)-2-(trifluoromethyl)cyclopropyl]oxypyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-(benzenesulfonyl)-6-[3-[(1S,2R)-2-(trifluoromethyl)cyclopropyl]oxypyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;hydride;oxido formate;sulfane;(4S)-2,2,4-trimethylpyrrolidine

C98H107Cl2F12K2N19O19S7 — CID 158011292

About dipotassium;N-(benzenesulfonyl)-2-chloro-6-[3-[(1R,2S)-2-(trifluoromethyl)cyclopropyl]oxypyrazol-1-yl]pyridine-3-carboxamide;N-(benzenesulfonyl)-2-chloro-6-[3-[(1S,2R)-2-(trifluoromethyl)cyclopropyl]oxypyrazol-1-yl]pyridine-3-carboxamide;N-(benzenesulfonyl)-6-[3-[(1R,2S)-2-(trifluoromethyl)cyclopropyl]oxypyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-(benzenesulfonyl)-6-[3-[(1S,2R)-2-(trifluoromethyl)cyclopropyl]oxypyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;hydride;oxido formate;sulfane;(4S)-2,2,4-trimethylpyrrolidine

dipotassium;N-(benzenesulfonyl)-2-chloro-6-[3-[(1R,2S)-2-(trifluoromethyl)cyclopropyl]oxypyrazol-1-yl]pyridine-3-carboxamide;N-(benzenesulfonyl)-2-chloro-6-[3-[(1S,2R)-2-(trifluoromethyl)cyclopropyl]oxypyrazol-1-yl]pyridine-3-carboxamide;N-(benzenesulfonyl)-6-[3-[(1R,2S)-2-(trifluoromethyl)cyclopropyl]oxypyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-(benzenesulfonyl)-6-[3-[(1S,2R)-2-(trifluoromethyl)cyclopropyl]oxypyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;hydride;oxido formate;sulfane;(4S)-2,2,4-trimethylpyrrolidine (PubChem CID 158011292) has the molecular formula C98H107Cl2F12K2N19O19S7 and a molecular weight of 2456.59 g/mol. Its IUPAC name is dipotassium;N-(benzenesulfonyl)-2-chloro-6-[3-[(1R,2S)-2-(trifluoromethyl)cyclopropyl]oxypyrazol-1-yl]pyridine-3-carboxamide;N-(benzenesulfonyl)-2-chloro-6-[3-[(1S,2R)-2-(trifluoromethyl)cyclopropyl]oxypyrazol-1-yl]pyridine-3-carboxamide;N-(benzenesulfonyl)-6-[3-[(1R,2S)-2-(trifluoromethyl)cyclopropyl]oxypyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-(benzenesulfonyl)-6-[3-[(1S,2R)-2-(trifluoromethyl)cyclopropyl]oxypyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;hydride;oxido formate;sulfane;(4S)-2,2,4-trimethylpyrrolidine.

Molecular Properties

• Compound Name: dipotassium;N-(benzenesulfonyl)-2-chloro-6-[3-[(1R,2S)-2-(trifluoromethyl)cyclopropyl]oxypyrazol-1-yl]pyridine-3-carboxamide;N-(benzenesulfonyl)-2-chloro-6-[3-[(1S,2R)-2-(trifluoromethyl)cyclopropyl]oxypyrazol-1-yl]pyridine-3-carboxamide;N-(benzenesulfonyl)-6-[3-[(1R,2S)-2-(trifluoromethyl)cyclopropyl]oxypyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-(benzenesulfonyl)-6-[3-[(1S,2R)-2-(trifluoromethyl)cyclopropyl]oxypyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;hydride;oxido formate;sulfane;(4S)-2,2,4-trimethylpyrrolidine
• PubChem CID: 158011292
• Molecular Formula: C98H107Cl2F12K2N19O19S7
• Molecular Weight: 2456.59 g/mol
• Exact Mass: 2453.45
• IUPAC Name: dipotassium;N-(benzenesulfonyl)-2-chloro-6-[3-[(1R,2S)-2-(trifluoromethyl)cyclopropyl]oxypyrazol-1-yl]pyridine-3-carboxamide;N-(benzenesulfonyl)-2-chloro-6-[3-[(1S,2R)-2-(trifluoromethyl)cyclopropyl]oxypyrazol-1-yl]pyridine-3-carboxamide;N-(benzenesulfonyl)-6-[3-[(1R,2S)-2-(trifluoromethyl)cyclopropyl]oxypyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-(benzenesulfonyl)-6-[3-[(1S,2R)-2-(trifluoromethyl)cyclopropyl]oxypyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;hydride;oxido formate;sulfane;(4S)-2,2,4-trimethylpyrrolidine
• SMILES: C[C@@H]1CN(c2nc(-n3ccc(O[C@@H]4C[C@@H]4C(F)(F)F)n3)ccc2C(=O)NS(=O)(=O)c2ccccc2)C(C)(C)C1.C[C@@H]1CN(c2nc(-n3ccc(O[C@H]4C[C@H]4C(F)(F)F)n3)ccc2C(=O)NS(=O)(=O)c2ccccc2)C(C)(C)C1.C[C@@H]1CNC(C)(C)C1.O=C(NS(=O)(=O)c1ccccc1)c1ccc(-n2ccc(O[C@@H]3C[C@@H]3C(F)(F)F)n2)nc1Cl.O=C(NS(=O)(=O)c1ccccc1)c1ccc(-n2ccc(O[C@H]3C[C@H]3C(F)(F)F)n2)nc1Cl.O=CO[O-].S.S.S.[H-].[K+].[K+]
• InChI: InChI=1S/2C26H28F3N5O4S.2C19H14ClF3N4O4S.C7H15N.CH2O3.2K.3H2S.H/c2*1-16-14-25(2,3)33(15-16)23-18(24(35)32-39(36,37)17-7-5-4-6-8-17)9-10-21(30-23)34-12-11-22(31-34)38-20-13-19(20)26(27,28)29;2*20-17-12(18(28)26-32(29,30)11-4-2-1-3-5-11)6-7-15(24-17)27-9-8-16(25-27)31-14-10-13(14)19(21,22)23;1-6-4-7(2,3)8-5-6;2-1-4-3;;;;;;/h2*4-12,16,19-20H,13-15H2,1-3H3,(H,32,35);2*1-9,13-14H,10H2,(H,26,28);6,8H,4-5H2,1-3H3;1,3H;;;3*1H2;/q;;;;;;2*+1;;;;-1/p-1/t16-,19+,20-;16-,19-,20+;2*13-,14+;6-;;;;;;;/m00100......./s1
• InChIKey: QTCNFEMRJLPANW-AMKWQKAVSA-M
• XLogP: 9.71
• TPSA: 480.59 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 34
• Rotatable Bonds: 27
• Heavy Atoms: 159
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2456.59
LogP ≤ 5	9.71
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	34

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of dipotassium;N-(benzenesulfonyl)-2-chloro-6-[3-[(1R,2S)-2-(trifluoromethyl)cyclopropyl]oxypyrazol-1-yl]pyridine-3-carboxamide;N-(benzenesulfonyl)-2-chloro-6-[3-[(1S,2R)-2-(trifluoromethyl)cyclopropyl]oxypyrazol-1-yl]pyridine-3-carboxamide;N-(benzenesulfonyl)-6-[3-[(1R,2S)-2-(trifluoromethyl)cyclopropyl]oxypyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-(benzenesulfonyl)-6-[3-[(1S,2R)-2-(trifluoromethyl)cyclopropyl]oxypyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;hydride;oxido formate;sulfane;(4S)-2,2,4-trimethylpyrrolidine?

The IUPAC name of dipotassium;N-(benzenesulfonyl)-2-chloro-6-[3-[(1R,2S)-2-(trifluoromethyl)cyclopropyl]oxypyrazol-1-yl]pyridine-3-carboxamide;N-(benzenesulfonyl)-2-chloro-6-[3-[(1S,2R)-2-(trifluoromethyl)cyclopropyl]oxypyrazol-1-yl]pyridine-3-carboxamide;N-(benzenesulfonyl)-6-[3-[(1R,2S)-2-(trifluoromethyl)cyclopropyl]oxypyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-(benzenesulfonyl)-6-[3-[(1S,2R)-2-(trifluoromethyl)cyclopropyl]oxypyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;hydride;oxido formate;sulfane;(4S)-2,2,4-trimethylpyrrolidine (CID 158011292) is dipotassium;N-(benzenesulfonyl)-2-chloro-6-[3-[(1R,2S)-2-(trifluoromethyl)cyclopropyl]oxypyrazol-1-yl]pyridine-3-carboxamide;N-(benzenesulfonyl)-2-chloro-6-[3-[(1S,2R)-2-(trifluoromethyl)cyclopropyl]oxypyrazol-1-yl]pyridine-3-carboxamide;N-(benzenesulfonyl)-6-[3-[(1R,2S)-2-(trifluoromethyl)cyclopropyl]oxypyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-(benzenesulfonyl)-6-[3-[(1S,2R)-2-(trifluoromethyl)cyclopropyl]oxypyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;hydride;oxido formate;sulfane;(4S)-2,2,4-trimethylpyrrolidine.

What is the SMILES notation for dipotassium;N-(benzenesulfonyl)-2-chloro-6-[3-[(1R,2S)-2-(trifluoromethyl)cyclopropyl]oxypyrazol-1-yl]pyridine-3-carboxamide;N-(benzenesulfonyl)-2-chloro-6-[3-[(1S,2R)-2-(trifluoromethyl)cyclopropyl]oxypyrazol-1-yl]pyridine-3-carboxamide;N-(benzenesulfonyl)-6-[3-[(1R,2S)-2-(trifluoromethyl)cyclopropyl]oxypyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-(benzenesulfonyl)-6-[3-[(1S,2R)-2-(trifluoromethyl)cyclopropyl]oxypyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;hydride;oxido formate;sulfane;(4S)-2,2,4-trimethylpyrrolidine?

The canonical SMILES for dipotassium;N-(benzenesulfonyl)-2-chloro-6-[3-[(1R,2S)-2-(trifluoromethyl)cyclopropyl]oxypyrazol-1-yl]pyridine-3-carboxamide;N-(benzenesulfonyl)-2-chloro-6-[3-[(1S,2R)-2-(trifluoromethyl)cyclopropyl]oxypyrazol-1-yl]pyridine-3-carboxamide;N-(benzenesulfonyl)-6-[3-[(1R,2S)-2-(trifluoromethyl)cyclopropyl]oxypyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-(benzenesulfonyl)-6-[3-[(1S,2R)-2-(trifluoromethyl)cyclopropyl]oxypyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;hydride;oxido formate;sulfane;(4S)-2,2,4-trimethylpyrrolidine is C[C@@H]1CN(c2nc(-n3ccc(O[C@@H]4C[C@@H]4C(F)(F)F)n3)ccc2C(=O)NS(=O)(=O)c2ccccc2)C(C)(C)C1.C[C@@H]1CN(c2nc(-n3ccc(O[C@H]4C[C@H]4C(F)(F)F)n3)ccc2C(=O)NS(=O)(=O)c2ccccc2)C(C)(C)C1.C[C@@H]1CNC(C)(C)C1.O=C(NS(=O)(=O)c1ccccc1)c1ccc(-n2ccc(O[C@@H]3C[C@@H]3C(F)(F)F)n2)nc1Cl.O=C(NS(=O)(=O)c1ccccc1)c1ccc(-n2ccc(O[C@H]3C[C@H]3C(F)(F)F)n2)nc1Cl.O=CO[O-].S.S.S.[H-].[K+].[K+].

What is the InChIKey of dipotassium;N-(benzenesulfonyl)-2-chloro-6-[3-[(1R,2S)-2-(trifluoromethyl)cyclopropyl]oxypyrazol-1-yl]pyridine-3-carboxamide;N-(benzenesulfonyl)-2-chloro-6-[3-[(1S,2R)-2-(trifluoromethyl)cyclopropyl]oxypyrazol-1-yl]pyridine-3-carboxamide;N-(benzenesulfonyl)-6-[3-[(1R,2S)-2-(trifluoromethyl)cyclopropyl]oxypyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-(benzenesulfonyl)-6-[3-[(1S,2R)-2-(trifluoromethyl)cyclopropyl]oxypyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;hydride;oxido formate;sulfane;(4S)-2,2,4-trimethylpyrrolidine?

The InChIKey is QTCNFEMRJLPANW-AMKWQKAVSA-M. The full InChI is InChI=1S/2C26H28F3N5O4S.2C19H14ClF3N4O4S.C7H15N.CH2O3.2K.3H2S.H/c2*1-16-14-25(2,3)33(15-16)23-18(24(35)32-39(36,37)17-7-5-4-6-8-17)9-10-21(30-23)34-12-11-22(31-34)38-20-13-19(20)26(27,28)29;2*20-17-12(18(28)26-32(29,30)11-4-2-1-3-5-11)6-7-15(24-17)27-9-8-16(25-27)31-14-10-13(14)19(21,22)23;1-6-4-7(2,3)8-5-6;2-1-4-3;;;;;;/h2*4-12,16,19-20H,13-15H2,1-3H3,(H,32,35);2*1-9,13-14H,10H2,(H,26,28);6,8H,4-5H2,1-3H3;1,3H;;;3*1H2;/q;;;;;;2*+1;;;;-1/p-1/t16-,19+,20-;16-,19-,20+;2*13-,14+;6-;;;;;;;/m00100......./s1.

What are the key properties of dipotassium;N-(benzenesulfonyl)-2-chloro-6-[3-[(1R,2S)-2-(trifluoromethyl)cyclopropyl]oxypyrazol-1-yl]pyridine-3-carboxamide;N-(benzenesulfonyl)-2-chloro-6-[3-[(1S,2R)-2-(trifluoromethyl)cyclopropyl]oxypyrazol-1-yl]pyridine-3-carboxamide;N-(benzenesulfonyl)-6-[3-[(1R,2S)-2-(trifluoromethyl)cyclopropyl]oxypyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-(benzenesulfonyl)-6-[3-[(1S,2R)-2-(trifluoromethyl)cyclopropyl]oxypyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;hydride;oxido formate;sulfane;(4S)-2,2,4-trimethylpyrrolidine?

dipotassium;N-(benzenesulfonyl)-2-chloro-6-[3-[(1R,2S)-2-(trifluoromethyl)cyclopropyl]oxypyrazol-1-yl]pyridine-3-carboxamide;N-(benzenesulfonyl)-2-chloro-6-[3-[(1S,2R)-2-(trifluoromethyl)cyclopropyl]oxypyrazol-1-yl]pyridine-3-carboxamide;N-(benzenesulfonyl)-6-[3-[(1R,2S)-2-(trifluoromethyl)cyclopropyl]oxypyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-(benzenesulfonyl)-6-[3-[(1S,2R)-2-(trifluoromethyl)cyclopropyl]oxypyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;hydride;oxido formate;sulfane;(4S)-2,2,4-trimethylpyrrolidine has a molecular weight of 2456.59 g/mol, XLogP of 9.71, 27 rotatable bonds, 5 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for dipotassium;N-(benzenesulfonyl)-2-chloro-6-[3-[(1R,2S)-2-(trifluoromethyl)cyclopropyl]oxypyrazol-1-yl]pyridine-3-carboxamide;N-(benzenesulfonyl)-2-chloro-6-[3-[(1S,2R)-2-(trifluoromethyl)cyclopropyl]oxypyrazol-1-yl]pyridine-3-carboxamide;N-(benzenesulfonyl)-6-[3-[(1R,2S)-2-(trifluoromethyl)cyclopropyl]oxypyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-(benzenesulfonyl)-6-[3-[(1S,2R)-2-(trifluoromethyl)cyclopropyl]oxypyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;hydride;oxido formate;sulfane;(4S)-2,2,4-trimethylpyrrolidine is sourced from PubChem (CID 158011292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).