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

C49H64Cl2F6K2N14O11S4 — CID 158075798

IUPACdipotassium;2-chloro-N-(1H-pyrazol-4-ylsulfonyl)-6-[3-[[1-(trifluoromethyl)cyclopropyl]methoxy]pyrazol-1-yl]pyridine-3-carboxamide;hydride;oxido formate;N-(1H-pyrazol-4-ylsulfonyl)-6-[3-[[1-(trifluoromethyl)cyclopropyl]methoxy]pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;sulfane;(4S)-2,2,4-trimethylpyrrolidine;hydrochloride
SMILESC[C@@H]1CN(c2nc(-n3ccc(OCC4(C(F)(F)F)CC4)n3)ccc2C(=O)NS(=O)(=O)c2cn[nH]c2)C(C)(C)C1.C[C@@H]1CNC(C)(C)C1.Cl.O=C(NS(=O)(=O)c1cn[nH]c1)c1ccc(-n2ccc(OCC3(C(F)(F)F)CC3)n2)nc1Cl.O=CO[O-].S.S.[H-].[K+].[K+]
InChIInChI=1S/C24H28F3N7O4S.C17H14ClF3N6O4S.C7H15N.CH2O3.ClH.2K.2H2S.H/c1-15-10-22(2,3)33(13-15)20-17(21(35)32-39(36,37)16-11-28-29-12-16)4-5-18(30-20)34-9-6-19(31-34)38-14-23(7-8-23)24(25,26)27;18-14-11(15(28)26-32(29,30)10-7-22-23-8-10)1-2-12(24-14)27-6-3-13(25-27)31-9-16(4-5-16)17(19,20)21;1-6-4-7(2,3)8-5-6;2-1-4-3;;;;;;/h4-6,9,11-12,15H,7-8,10,13-14H2,1-3H3,(H,28,29)(H,32,35);1-3,6-8H,4-5,9H2,(H,22,23)(H,26,28);6,8H,4-5H2,1-3H3;1,3H;1H;;;2*1H2;/q;;;;;2*+1;;;-1/p-1/t15-;;6-;;;;;;;/m0.0......./s1
InChIKeyWWDXDTGVQOXIBP-RZQSPPMJSA-M
MW1416.50 g/mol
LogP0.54
Rot. Bonds16

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

dipotassium;2-chloro-N-(1H-pyrazol-4-ylsulfonyl)-6-[3-[[1-(trifluoromethyl)cyclopropyl]methoxy]pyrazol-1-yl]pyridine-3-carboxamide;hydride;oxido formate;N-(1H-pyrazol-4-ylsulfonyl)-6-[3-[[1-(trifluoromethyl)cyclopropyl]methoxy]pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;sulfane;(4S)-2,2,4-trimethylpyrrolidine;hydrochloride (PubChem CID 158075798) has the molecular formula C49H64Cl2F6K2N14O11S4 and a molecular weight of 1416.50 g/mol. Its IUPAC name is dipotassium;2-chloro-N-(1H-pyrazol-4-ylsulfonyl)-6-[3-[[1-(trifluoromethyl)cyclopropyl]methoxy]pyrazol-1-yl]pyridine-3-carboxamide;hydride;oxido formate;N-(1H-pyrazol-4-ylsulfonyl)-6-[3-[[1-(trifluoromethyl)cyclopropyl]methoxy]pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;sulfane;(4S)-2,2,4-trimethylpyrrolidine;hydrochloride.

Molecular Properties

Compound Namedipotassium;2-chloro-N-(1H-pyrazol-4-ylsulfonyl)-6-[3-[[1-(trifluoromethyl)cyclopropyl]methoxy]pyrazol-1-yl]pyridine-3-carboxamide;hydride;oxido formate;N-(1H-pyrazol-4-ylsulfonyl)-6-[3-[[1-(trifluoromethyl)cyclopropyl]methoxy]pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;sulfane;(4S)-2,2,4-trimethylpyrrolidine;hydrochloride
PubChem CID158075798
Molecular FormulaC49H64Cl2F6K2N14O11S4
Molecular Weight1416.50 g/mol
Exact Mass1414.23
IUPAC Namedipotassium;2-chloro-N-(1H-pyrazol-4-ylsulfonyl)-6-[3-[[1-(trifluoromethyl)cyclopropyl]methoxy]pyrazol-1-yl]pyridine-3-carboxamide;hydride;oxido formate;N-(1H-pyrazol-4-ylsulfonyl)-6-[3-[[1-(trifluoromethyl)cyclopropyl]methoxy]pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;sulfane;(4S)-2,2,4-trimethylpyrrolidine;hydrochloride
SMILESC[C@@H]1CN(c2nc(-n3ccc(OCC4(C(F)(F)F)CC4)n3)ccc2C(=O)NS(=O)(=O)c2cn[nH]c2)C(C)(C)C1.C[C@@H]1CNC(C)(C)C1.Cl.O=C(NS(=O)(=O)c1cn[nH]c1)c1ccc(-n2ccc(OCC3(C(F)(F)F)CC3)n2)nc1Cl.O=CO[O-].S.S.[H-].[K+].[K+]
InChIInChI=1S/C24H28F3N7O4S.C17H14ClF3N6O4S.C7H15N.CH2O3.ClH.2K.2H2S.H/c1-15-10-22(2,3)33(13-15)20-17(21(35)32-39(36,37)16-11-28-29-12-16)4-5-18(30-20)34-9-6-19(31-34)38-14-23(7-8-23)24(25,26)27;18-14-11(15(28)26-32(29,30)10-7-22-23-8-10)1-2-12(24-14)27-6-3-13(25-27)31-9-16(4-5-16)17(19,20)21;1-6-4-7(2,3)8-5-6;2-1-4-3;;;;;;/h4-6,9,11-12,15H,7-8,10,13-14H2,1-3H3,(H,28,29)(H,32,35);1-3,6-8H,4-5,9H2,(H,22,23)(H,26,28);6,8H,4-5H2,1-3H3;1,3H;1H;;;2*1H2;/q;;;;;2*+1;;;-1/p-1/t15-;;6-;;;;;;;/m0.0......./s1
InChIKeyWWDXDTGVQOXIBP-RZQSPPMJSA-M
XLogP0.54
TPSA328.35 Ų
H-Bond Donors5
H-Bond Acceptors21
Rotatable Bonds16
Heavy Atoms88
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001416.50
LogP ≤ 50.54
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1021

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'}

Analyze dipotassium;2-chloro-N-(1H-pyrazol-4-ylsulfonyl)-6-[3-[[1-(trifluoromethyl)cyclopropyl]methoxy]pyrazol-1-yl]pyridine-3-carboxamide;hydride;oxido formate;N-(1H-pyrazol-4-ylsulfonyl)-6-[3-[[1-(trifluoromethyl)cyclopropyl]methoxy]pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;sulfane;(4S)-2,2,4-trimethylpyrrolidine;hydrochloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of dipotassium;2-chloro-N-(1H-pyrazol-4-ylsulfonyl)-6-[3-[[1-(trifluoromethyl)cyclopropyl]methoxy]pyrazol-1-yl]pyridine-3-carboxamide;hydride;oxido formate;N-(1H-pyrazol-4-ylsulfonyl)-6-[3-[[1-(trifluoromethyl)cyclopropyl]methoxy]pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;sulfane;(4S)-2,2,4-trimethylpyrrolidine;hydrochloride?
The IUPAC name of dipotassium;2-chloro-N-(1H-pyrazol-4-ylsulfonyl)-6-[3-[[1-(trifluoromethyl)cyclopropyl]methoxy]pyrazol-1-yl]pyridine-3-carboxamide;hydride;oxido formate;N-(1H-pyrazol-4-ylsulfonyl)-6-[3-[[1-(trifluoromethyl)cyclopropyl]methoxy]pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;sulfane;(4S)-2,2,4-trimethylpyrrolidine;hydrochloride (CID 158075798) is dipotassium;2-chloro-N-(1H-pyrazol-4-ylsulfonyl)-6-[3-[[1-(trifluoromethyl)cyclopropyl]methoxy]pyrazol-1-yl]pyridine-3-carboxamide;hydride;oxido formate;N-(1H-pyrazol-4-ylsulfonyl)-6-[3-[[1-(trifluoromethyl)cyclopropyl]methoxy]pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;sulfane;(4S)-2,2,4-trimethylpyrrolidine;hydrochloride.
What is the SMILES notation for dipotassium;2-chloro-N-(1H-pyrazol-4-ylsulfonyl)-6-[3-[[1-(trifluoromethyl)cyclopropyl]methoxy]pyrazol-1-yl]pyridine-3-carboxamide;hydride;oxido formate;N-(1H-pyrazol-4-ylsulfonyl)-6-[3-[[1-(trifluoromethyl)cyclopropyl]methoxy]pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;sulfane;(4S)-2,2,4-trimethylpyrrolidine;hydrochloride?
The canonical SMILES for dipotassium;2-chloro-N-(1H-pyrazol-4-ylsulfonyl)-6-[3-[[1-(trifluoromethyl)cyclopropyl]methoxy]pyrazol-1-yl]pyridine-3-carboxamide;hydride;oxido formate;N-(1H-pyrazol-4-ylsulfonyl)-6-[3-[[1-(trifluoromethyl)cyclopropyl]methoxy]pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;sulfane;(4S)-2,2,4-trimethylpyrrolidine;hydrochloride is C[C@@H]1CN(c2nc(-n3ccc(OCC4(C(F)(F)F)CC4)n3)ccc2C(=O)NS(=O)(=O)c2cn[nH]c2)C(C)(C)C1.C[C@@H]1CNC(C)(C)C1.Cl.O=C(NS(=O)(=O)c1cn[nH]c1)c1ccc(-n2ccc(OCC3(C(F)(F)F)CC3)n2)nc1Cl.O=CO[O-].S.S.[H-].[K+].[K+].
What is the InChIKey of dipotassium;2-chloro-N-(1H-pyrazol-4-ylsulfonyl)-6-[3-[[1-(trifluoromethyl)cyclopropyl]methoxy]pyrazol-1-yl]pyridine-3-carboxamide;hydride;oxido formate;N-(1H-pyrazol-4-ylsulfonyl)-6-[3-[[1-(trifluoromethyl)cyclopropyl]methoxy]pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;sulfane;(4S)-2,2,4-trimethylpyrrolidine;hydrochloride?
The InChIKey is WWDXDTGVQOXIBP-RZQSPPMJSA-M. The full InChI is InChI=1S/C24H28F3N7O4S.C17H14ClF3N6O4S.C7H15N.CH2O3.ClH.2K.2H2S.H/c1-15-10-22(2,3)33(13-15)20-17(21(35)32-39(36,37)16-11-28-29-12-16)4-5-18(30-20)34-9-6-19(31-34)38-14-23(7-8-23)24(25,26)27;18-14-11(15(28)26-32(29,30)10-7-22-23-8-10)1-2-12(24-14)27-6-3-13(25-27)31-9-16(4-5-16)17(19,20)21;1-6-4-7(2,3)8-5-6;2-1-4-3;;;;;;/h4-6,9,11-12,15H,7-8,10,13-14H2,1-3H3,(H,28,29)(H,32,35);1-3,6-8H,4-5,9H2,(H,22,23)(H,26,28);6,8H,4-5H2,1-3H3;1,3H;1H;;;2*1H2;/q;;;;;2*+1;;;-1/p-1/t15-;;6-;;;;;;;/m0.0......./s1.
What are the key properties of dipotassium;2-chloro-N-(1H-pyrazol-4-ylsulfonyl)-6-[3-[[1-(trifluoromethyl)cyclopropyl]methoxy]pyrazol-1-yl]pyridine-3-carboxamide;hydride;oxido formate;N-(1H-pyrazol-4-ylsulfonyl)-6-[3-[[1-(trifluoromethyl)cyclopropyl]methoxy]pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;sulfane;(4S)-2,2,4-trimethylpyrrolidine;hydrochloride?
dipotassium;2-chloro-N-(1H-pyrazol-4-ylsulfonyl)-6-[3-[[1-(trifluoromethyl)cyclopropyl]methoxy]pyrazol-1-yl]pyridine-3-carboxamide;hydride;oxido formate;N-(1H-pyrazol-4-ylsulfonyl)-6-[3-[[1-(trifluoromethyl)cyclopropyl]methoxy]pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;sulfane;(4S)-2,2,4-trimethylpyrrolidine;hydrochloride has a molecular weight of 1416.50 g/mol, XLogP of 0.54, 16 rotatable bonds, 5 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for dipotassium;2-chloro-N-(1H-pyrazol-4-ylsulfonyl)-6-[3-[[1-(trifluoromethyl)cyclopropyl]methoxy]pyrazol-1-yl]pyridine-3-carboxamide;hydride;oxido formate;N-(1H-pyrazol-4-ylsulfonyl)-6-[3-[[1-(trifluoromethyl)cyclopropyl]methoxy]pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;sulfane;(4S)-2,2,4-trimethylpyrrolidine;hydrochloride is sourced from PubChem (CID 158075798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).