dipotassium;N-(benzenesulfonyl)-2-chloro-6-[3-[dideuterio-(2,2,3,3-tetramethylcyclopropyl)methoxy]pyrazol-1-yl]pyridine-3-carboxamide;N-(benzenesulfonyl)-6-[3-[dideuterio-(2,2,3,3-tetramethylcyclopropyl)methoxy]pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;hydride;oxido formate;sulfane;(4S)-2,2,4-trimethylpyrrolidine;hydrochloride

C61H86Cl2K2N10O11S4 — CID 159716946

About dipotassium;N-(benzenesulfonyl)-2-chloro-6-[3-[dideuterio-(2,2,3,3-tetramethylcyclopropyl)methoxy]pyrazol-1-yl]pyridine-3-carboxamide;N-(benzenesulfonyl)-6-[3-[dideuterio-(2,2,3,3-tetramethylcyclopropyl)methoxy]pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;hydride;oxido formate;sulfane;(4S)-2,2,4-trimethylpyrrolidine;hydrochloride

dipotassium;N-(benzenesulfonyl)-2-chloro-6-[3-[dideuterio-(2,2,3,3-tetramethylcyclopropyl)methoxy]pyrazol-1-yl]pyridine-3-carboxamide;N-(benzenesulfonyl)-6-[3-[dideuterio-(2,2,3,3-tetramethylcyclopropyl)methoxy]pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;hydride;oxido formate;sulfane;(4S)-2,2,4-trimethylpyrrolidine;hydrochloride (PubChem CID 159716946) has the molecular formula C61H86Cl2K2N10O11S4 and a molecular weight of 1416.81 g/mol. Its IUPAC name is dipotassium;N-(benzenesulfonyl)-2-chloro-6-[3-[dideuterio-(2,2,3,3-tetramethylcyclopropyl)methoxy]pyrazol-1-yl]pyridine-3-carboxamide;N-(benzenesulfonyl)-6-[3-[dideuterio-(2,2,3,3-tetramethylcyclopropyl)methoxy]pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;hydride;oxido formate;sulfane;(4S)-2,2,4-trimethylpyrrolidine;hydrochloride.

Molecular Properties

• Compound Name: dipotassium;N-(benzenesulfonyl)-2-chloro-6-[3-[dideuterio-(2,2,3,3-tetramethylcyclopropyl)methoxy]pyrazol-1-yl]pyridine-3-carboxamide;N-(benzenesulfonyl)-6-[3-[dideuterio-(2,2,3,3-tetramethylcyclopropyl)methoxy]pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;hydride;oxido formate;sulfane;(4S)-2,2,4-trimethylpyrrolidine;hydrochloride
• PubChem CID: 159716946
• Molecular Formula: C61H86Cl2K2N10O11S4
• Molecular Weight: 1416.81 g/mol
• Exact Mass: 1414.43
• IUPAC Name: dipotassium;N-(benzenesulfonyl)-2-chloro-6-[3-[dideuterio-(2,2,3,3-tetramethylcyclopropyl)methoxy]pyrazol-1-yl]pyridine-3-carboxamide;N-(benzenesulfonyl)-6-[3-[dideuterio-(2,2,3,3-tetramethylcyclopropyl)methoxy]pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;hydride;oxido formate;sulfane;(4S)-2,2,4-trimethylpyrrolidine;hydrochloride
• SMILES: C[C@@H]1CNC(C)(C)C1.Cl.O=CO[O-].S.S.[2H]C([2H])(Oc1ccn(-c2ccc(C(=O)NS(=O)(=O)c3ccccc3)c(Cl)n2)n1)C1C(C)(C)C1(C)C.[2H]C([2H])(Oc1ccn(-c2ccc(C(=O)NS(=O)(=O)c3ccccc3)c(N3C[C@@H](C)CC3(C)C)n2)n1)C1C(C)(C)C1(C)C.[H-].[K+].[K+]
• InChI: InChI=1S/C30H39N5O4S.C23H25ClN4O4S.C7H15N.CH2O3.ClH.2K.2H2S.H/c1-20-17-28(2,3)34(18-20)26-22(27(36)33-40(37,38)21-11-9-8-10-12-21)13-14-24(31-26)35-16-15-25(32-35)39-19-23-29(4,5)30(23,6)7;1-22(2)17(23(22,3)4)14-32-19-12-13-28(26-19)18-11-10-16(20(24)25-18)21(29)27-33(30,31)15-8-6-5-7-9-15;1-6-4-7(2,3)8-5-6;2-1-4-3;;;;;;/h8-16,20,23H,17-19H2,1-7H3,(H,33,36);5-13,17H,14H2,1-4H3,(H,27,29);6,8H,4-5H2,1-3H3;1,3H;1H;;;2*1H2;/q;;;;;2*+1;;;-1/p-1/t20-;;6-;;;;;;;/m0.0......./s1/i19D2;14D2
• InChIKey: SOIVNVSPBMBMBF-DORLURASSA-M
• XLogP: 3.77
• TPSA: 270.99 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 19
• Rotatable Bonds: 16
• Heavy Atoms: 90
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1416.81
LogP ≤ 5	3.77
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	19

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-[dideuterio-(2,2,3,3-tetramethylcyclopropyl)methoxy]pyrazol-1-yl]pyridine-3-carboxamide;N-(benzenesulfonyl)-6-[3-[dideuterio-(2,2,3,3-tetramethylcyclopropyl)methoxy]pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;hydride;oxido formate;sulfane;(4S)-2,2,4-trimethylpyrrolidine;hydrochloride?

The IUPAC name of dipotassium;N-(benzenesulfonyl)-2-chloro-6-[3-[dideuterio-(2,2,3,3-tetramethylcyclopropyl)methoxy]pyrazol-1-yl]pyridine-3-carboxamide;N-(benzenesulfonyl)-6-[3-[dideuterio-(2,2,3,3-tetramethylcyclopropyl)methoxy]pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;hydride;oxido formate;sulfane;(4S)-2,2,4-trimethylpyrrolidine;hydrochloride (CID 159716946) is dipotassium;N-(benzenesulfonyl)-2-chloro-6-[3-[dideuterio-(2,2,3,3-tetramethylcyclopropyl)methoxy]pyrazol-1-yl]pyridine-3-carboxamide;N-(benzenesulfonyl)-6-[3-[dideuterio-(2,2,3,3-tetramethylcyclopropyl)methoxy]pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;hydride;oxido formate;sulfane;(4S)-2,2,4-trimethylpyrrolidine;hydrochloride.

What is the SMILES notation for dipotassium;N-(benzenesulfonyl)-2-chloro-6-[3-[dideuterio-(2,2,3,3-tetramethylcyclopropyl)methoxy]pyrazol-1-yl]pyridine-3-carboxamide;N-(benzenesulfonyl)-6-[3-[dideuterio-(2,2,3,3-tetramethylcyclopropyl)methoxy]pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;hydride;oxido formate;sulfane;(4S)-2,2,4-trimethylpyrrolidine;hydrochloride?

The canonical SMILES for dipotassium;N-(benzenesulfonyl)-2-chloro-6-[3-[dideuterio-(2,2,3,3-tetramethylcyclopropyl)methoxy]pyrazol-1-yl]pyridine-3-carboxamide;N-(benzenesulfonyl)-6-[3-[dideuterio-(2,2,3,3-tetramethylcyclopropyl)methoxy]pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;hydride;oxido formate;sulfane;(4S)-2,2,4-trimethylpyrrolidine;hydrochloride is C[C@@H]1CNC(C)(C)C1.Cl.O=CO[O-].S.S.[2H]C([2H])(Oc1ccn(-c2ccc(C(=O)NS(=O)(=O)c3ccccc3)c(Cl)n2)n1)C1C(C)(C)C1(C)C.[2H]C([2H])(Oc1ccn(-c2ccc(C(=O)NS(=O)(=O)c3ccccc3)c(N3C[C@@H](C)CC3(C)C)n2)n1)C1C(C)(C)C1(C)C.[H-].[K+].[K+].

What is the InChIKey of dipotassium;N-(benzenesulfonyl)-2-chloro-6-[3-[dideuterio-(2,2,3,3-tetramethylcyclopropyl)methoxy]pyrazol-1-yl]pyridine-3-carboxamide;N-(benzenesulfonyl)-6-[3-[dideuterio-(2,2,3,3-tetramethylcyclopropyl)methoxy]pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;hydride;oxido formate;sulfane;(4S)-2,2,4-trimethylpyrrolidine;hydrochloride?

The InChIKey is SOIVNVSPBMBMBF-DORLURASSA-M. The full InChI is InChI=1S/C30H39N5O4S.C23H25ClN4O4S.C7H15N.CH2O3.ClH.2K.2H2S.H/c1-20-17-28(2,3)34(18-20)26-22(27(36)33-40(37,38)21-11-9-8-10-12-21)13-14-24(31-26)35-16-15-25(32-35)39-19-23-29(4,5)30(23,6)7;1-22(2)17(23(22,3)4)14-32-19-12-13-28(26-19)18-11-10-16(20(24)25-18)21(29)27-33(30,31)15-8-6-5-7-9-15;1-6-4-7(2,3)8-5-6;2-1-4-3;;;;;;/h8-16,20,23H,17-19H2,1-7H3,(H,33,36);5-13,17H,14H2,1-4H3,(H,27,29);6,8H,4-5H2,1-3H3;1,3H;1H;;;2*1H2;/q;;;;;2*+1;;;-1/p-1/t20-;;6-;;;;;;;/m0.0......./s1/i19D2;14D2;;;;;;;;.

What are the key properties of dipotassium;N-(benzenesulfonyl)-2-chloro-6-[3-[dideuterio-(2,2,3,3-tetramethylcyclopropyl)methoxy]pyrazol-1-yl]pyridine-3-carboxamide;N-(benzenesulfonyl)-6-[3-[dideuterio-(2,2,3,3-tetramethylcyclopropyl)methoxy]pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;hydride;oxido formate;sulfane;(4S)-2,2,4-trimethylpyrrolidine;hydrochloride?

dipotassium;N-(benzenesulfonyl)-2-chloro-6-[3-[dideuterio-(2,2,3,3-tetramethylcyclopropyl)methoxy]pyrazol-1-yl]pyridine-3-carboxamide;N-(benzenesulfonyl)-6-[3-[dideuterio-(2,2,3,3-tetramethylcyclopropyl)methoxy]pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;hydride;oxido formate;sulfane;(4S)-2,2,4-trimethylpyrrolidine;hydrochloride has a molecular weight of 1416.81 g/mol, XLogP of 3.77, 16 rotatable bonds, 3 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for dipotassium;N-(benzenesulfonyl)-2-chloro-6-[3-[dideuterio-(2,2,3,3-tetramethylcyclopropyl)methoxy]pyrazol-1-yl]pyridine-3-carboxamide;N-(benzenesulfonyl)-6-[3-[dideuterio-(2,2,3,3-tetramethylcyclopropyl)methoxy]pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;hydride;oxido formate;sulfane;(4S)-2,2,4-trimethylpyrrolidine;hydrochloride is sourced from PubChem (CID 159716946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).