N-(benzenesulfonyl)-2-methyl-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxamide;N-(benzenesulfonyl)-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;(4S)-2,2,4-trimethylpyrrolidine;fluoride;hydroiodide

C57H69F7IN10O8S2- — CID 158403046

About N-(benzenesulfonyl)-2-methyl-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxamide;N-(benzenesulfonyl)-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;(4S)-2,2,4-trimethylpyrrolidine;fluoride;hydroiodide

N-(benzenesulfonyl)-2-methyl-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxamide;N-(benzenesulfonyl)-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;(4S)-2,2,4-trimethylpyrrolidine;fluoride;hydroiodide (PubChem CID 158403046) has the molecular formula C57H69F7IN10O8S2- and a molecular weight of 1346.26 g/mol. Its IUPAC name is N-(benzenesulfonyl)-2-methyl-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxamide;N-(benzenesulfonyl)-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;(4S)-2,2,4-trimethylpyrrolidine;fluoride;hydroiodide.

Molecular Properties

• Compound Name: N-(benzenesulfonyl)-2-methyl-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxamide;N-(benzenesulfonyl)-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;(4S)-2,2,4-trimethylpyrrolidine;fluoride;hydroiodide
• PubChem CID: 158403046
• Molecular Formula: C57H69F7IN10O8S2-
• Molecular Weight: 1346.26 g/mol
• Exact Mass: 1345.37
• IUPAC Name: N-(benzenesulfonyl)-2-methyl-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxamide;N-(benzenesulfonyl)-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;(4S)-2,2,4-trimethylpyrrolidine;fluoride;hydroiodide
• SMILES: C[C@@H]1CN(c2nc(-n3ccc(OCCC4(C(F)(F)F)CC4)n3)ccc2C(=O)NS(=O)(=O)c2ccccc2)C(C)(C)C1.C[C@@H]1CNC(C)(C)C1.Cc1nc(-n2ccc(OCCC3(C(F)(F)F)CC3)n2)ccc1C(=O)NS(=O)(=O)c1ccccc1.I.[F-]
• InChI: InChI=1S/C28H32F3N5O4S.C22H21F3N4O4S.C7H15N.FH.HI/c1-19-17-26(2,3)35(18-19)24-21(25(37)34-41(38,39)20-7-5-4-6-8-20)9-10-22(32-24)36-15-11-23(33-36)40-16-14-27(12-13-27)28(29,30)31;1-15-17(20(30)28-34(31,32)16-5-3-2-4-6-16)7-8-18(26-15)29-13-9-19(27-29)33-14-12-21(10-11-21)22(23,24)25;1-6-4-7(2,3)8-5-6;;/h4-11,15,19H,12-14,16-18H2,1-3H3,(H,34,37);2-9,13H,10-12,14H2,1H3,(H,28,30);6,8H,4-5H2,1-3H3;2*1H/p-1/t19-;;6-;;/m0.0../s1
• InChIKey: ZXMDPIOPKBFTTR-MTIIYXLQSA-M
• XLogP: 7.94
• TPSA: 221.63 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 16
• Rotatable Bonds: 17
• Heavy Atoms: 85
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1346.26
LogP ≤ 5	7.94
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(benzenesulfonyl)-2-methyl-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxamide;N-(benzenesulfonyl)-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;(4S)-2,2,4-trimethylpyrrolidine;fluoride;hydroiodide?

The IUPAC name of N-(benzenesulfonyl)-2-methyl-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxamide;N-(benzenesulfonyl)-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;(4S)-2,2,4-trimethylpyrrolidine;fluoride;hydroiodide (CID 158403046) is N-(benzenesulfonyl)-2-methyl-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxamide;N-(benzenesulfonyl)-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;(4S)-2,2,4-trimethylpyrrolidine;fluoride;hydroiodide.

What is the SMILES notation for N-(benzenesulfonyl)-2-methyl-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxamide;N-(benzenesulfonyl)-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;(4S)-2,2,4-trimethylpyrrolidine;fluoride;hydroiodide?

The canonical SMILES for N-(benzenesulfonyl)-2-methyl-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxamide;N-(benzenesulfonyl)-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;(4S)-2,2,4-trimethylpyrrolidine;fluoride;hydroiodide is C[C@@H]1CN(c2nc(-n3ccc(OCCC4(C(F)(F)F)CC4)n3)ccc2C(=O)NS(=O)(=O)c2ccccc2)C(C)(C)C1.C[C@@H]1CNC(C)(C)C1.Cc1nc(-n2ccc(OCCC3(C(F)(F)F)CC3)n2)ccc1C(=O)NS(=O)(=O)c1ccccc1.I.[F-].

What is the InChIKey of N-(benzenesulfonyl)-2-methyl-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxamide;N-(benzenesulfonyl)-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;(4S)-2,2,4-trimethylpyrrolidine;fluoride;hydroiodide?

The InChIKey is ZXMDPIOPKBFTTR-MTIIYXLQSA-M. The full InChI is InChI=1S/C28H32F3N5O4S.C22H21F3N4O4S.C7H15N.FH.HI/c1-19-17-26(2,3)35(18-19)24-21(25(37)34-41(38,39)20-7-5-4-6-8-20)9-10-22(32-24)36-15-11-23(33-36)40-16-14-27(12-13-27)28(29,30)31;1-15-17(20(30)28-34(31,32)16-5-3-2-4-6-16)7-8-18(26-15)29-13-9-19(27-29)33-14-12-21(10-11-21)22(23,24)25;1-6-4-7(2,3)8-5-6;;/h4-11,15,19H,12-14,16-18H2,1-3H3,(H,34,37);2-9,13H,10-12,14H2,1H3,(H,28,30);6,8H,4-5H2,1-3H3;2*1H/p-1/t19-;;6-;;/m0.0../s1.

What are the key properties of N-(benzenesulfonyl)-2-methyl-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxamide;N-(benzenesulfonyl)-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;(4S)-2,2,4-trimethylpyrrolidine;fluoride;hydroiodide?

N-(benzenesulfonyl)-2-methyl-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxamide;N-(benzenesulfonyl)-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;(4S)-2,2,4-trimethylpyrrolidine;fluoride;hydroiodide has a molecular weight of 1346.26 g/mol, XLogP of 7.94, 17 rotatable bonds, 3 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for N-(benzenesulfonyl)-2-methyl-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxamide;N-(benzenesulfonyl)-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;(4S)-2,2,4-trimethylpyrrolidine;fluoride;hydroiodide is sourced from PubChem (CID 158403046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).