2-chloro-6-[3-(3,3,3-trifluoro-2,2-dimethylpropoxy)pyrazol-1-yl]pyridine-3-carboxylic acid;2-chloro-6-[3-(3,3,3-trifluoro-2,2-dimethylpropoxy)pyrazol-1-yl]-N-(3-trimethylsilylphenyl)sulfonylpyridine-3-carboxamide;6-[3-(3,3,3-trifluoro-2,2-dimethylpropoxy)pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]-N-(3-trimethylsilylphenyl)sulfonylpyridine-3-carboxamide;(4S)-2,2,4-trimethylpyrrolidine;3-trimethylsilylbenzenesulfonamide

C83H109Cl2F9N14O13S3Si3 — CID 157076591

IUPAC2-chloro-6-[3-(3,3,3-trifluoro-2,2-dimethylpropoxy)pyrazol-1-yl]pyridine-3-carboxylic acid;2-chloro-6-[3-(3,3,3-trifluoro-2,2-dimethylpropoxy)pyrazol-1-yl]-N-(3-trimethylsilylphenyl)sulfonylpyridine-3-carboxamide;6-[3-(3,3,3-trifluoro-2,2-dimethylpropoxy)pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]-N-(3-trimethylsilylphenyl)sulfonylpyridine-3-carboxamide;(4S)-2,2,4-trimethylpyrrolidine;3-trimethylsilylbenzenesulfonamide
SMILESCC(C)(COc1ccn(-c2ccc(C(=O)NS(=O)(=O)c3cccc([Si](C)(C)C)c3)c(Cl)n2)n1)C(F)(F)F.CC(C)(COc1ccn(-c2ccc(C(=O)O)c(Cl)n2)n1)C(F)(F)F.C[C@@H]1CN(c2nc(-n3ccc(OCC(C)(C)C(F)(F)F)n3)ccc2C(=O)NS(=O)(=O)c2cccc([Si](C)(C)C)c2)C(C)(C)C1.C[C@@H]1CNC(C)(C)C1.C[Si](C)(C)c1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C30H40F3N5O4SSi.C23H26ClF3N4O4SSi.C14H13ClF3N3O3.C9H15NO2SSi.C7H15N/c1-20-17-29(4,5)37(18-20)26-23(27(39)36-43(40,41)21-10-9-11-22(16-21)44(6,7)8)12-13-24(34-26)38-15-14-25(35-38)42-19-28(2,3)30(31,32)33;1-22(2,23(25,26)27)14-35-19-11-12-31(29-19)18-10-9-17(20(24)28-18)21(32)30-36(33,34)15-7-6-8-16(13-15)37(3,4)5;1-13(2,14(16,17)18)7-24-10-5-6-21(20-10)9-4-3-8(12(22)23)11(15)19-9;1-14(2,3)9-6-4-5-8(7-9)13(10,11)12;1-6-4-7(2,3)8-5-6/h9-16,20H,17-19H2,1-8H3,(H,36,39);6-13H,14H2,1-5H3,(H,30,32);3-6H,7H2,1-2H3,(H,22,23);4-7H,1-3H3,(H2,10,11,12);6,8H,4-5H2,1-3H3/t20-;;;;6-/m0...0/s1
InChIKeyADARRZMZDAMUHD-RGIMQYPESA-N
MW1933.22 g/mol
LogP15.94
Rot. Bonds24

About 2-chloro-6-[3-(3,3,3-trifluoro-2,2-dimethylpropoxy)pyrazol-1-yl]pyridine-3-carboxylic acid;2-chloro-6-[3-(3,3,3-trifluoro-2,2-dimethylpropoxy)pyrazol-1-yl]-N-(3-trimethylsilylphenyl)sulfonylpyridine-3-carboxamide;6-[3-(3,3,3-trifluoro-2,2-dimethylpropoxy)pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]-N-(3-trimethylsilylphenyl)sulfonylpyridine-3-carboxamide;(4S)-2,2,4-trimethylpyrrolidine;3-trimethylsilylbenzenesulfonamide

2-chloro-6-[3-(3,3,3-trifluoro-2,2-dimethylpropoxy)pyrazol-1-yl]pyridine-3-carboxylic acid;2-chloro-6-[3-(3,3,3-trifluoro-2,2-dimethylpropoxy)pyrazol-1-yl]-N-(3-trimethylsilylphenyl)sulfonylpyridine-3-carboxamide;6-[3-(3,3,3-trifluoro-2,2-dimethylpropoxy)pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]-N-(3-trimethylsilylphenyl)sulfonylpyridine-3-carboxamide;(4S)-2,2,4-trimethylpyrrolidine;3-trimethylsilylbenzenesulfonamide (PubChem CID 157076591) has the molecular formula C83H109Cl2F9N14O13S3Si3 and a molecular weight of 1933.22 g/mol. Its IUPAC name is 2-chloro-6-[3-(3,3,3-trifluoro-2,2-dimethylpropoxy)pyrazol-1-yl]pyridine-3-carboxylic acid;2-chloro-6-[3-(3,3,3-trifluoro-2,2-dimethylpropoxy)pyrazol-1-yl]-N-(3-trimethylsilylphenyl)sulfonylpyridine-3-carboxamide;6-[3-(3,3,3-trifluoro-2,2-dimethylpropoxy)pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]-N-(3-trimethylsilylphenyl)sulfonylpyridine-3-carboxamide;(4S)-2,2,4-trimethylpyrrolidine;3-trimethylsilylbenzenesulfonamide.

Molecular Properties

Compound Name2-chloro-6-[3-(3,3,3-trifluoro-2,2-dimethylpropoxy)pyrazol-1-yl]pyridine-3-carboxylic acid;2-chloro-6-[3-(3,3,3-trifluoro-2,2-dimethylpropoxy)pyrazol-1-yl]-N-(3-trimethylsilylphenyl)sulfonylpyridine-3-carboxamide;6-[3-(3,3,3-trifluoro-2,2-dimethylpropoxy)pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]-N-(3-trimethylsilylphenyl)sulfonylpyridine-3-carboxamide;(4S)-2,2,4-trimethylpyrrolidine;3-trimethylsilylbenzenesulfonamide
PubChem CID157076591
Molecular FormulaC83H109Cl2F9N14O13S3Si3
Molecular Weight1933.22 g/mol
Exact Mass1930.60
IUPAC Name2-chloro-6-[3-(3,3,3-trifluoro-2,2-dimethylpropoxy)pyrazol-1-yl]pyridine-3-carboxylic acid;2-chloro-6-[3-(3,3,3-trifluoro-2,2-dimethylpropoxy)pyrazol-1-yl]-N-(3-trimethylsilylphenyl)sulfonylpyridine-3-carboxamide;6-[3-(3,3,3-trifluoro-2,2-dimethylpropoxy)pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]-N-(3-trimethylsilylphenyl)sulfonylpyridine-3-carboxamide;(4S)-2,2,4-trimethylpyrrolidine;3-trimethylsilylbenzenesulfonamide
SMILESCC(C)(COc1ccn(-c2ccc(C(=O)NS(=O)(=O)c3cccc([Si](C)(C)C)c3)c(Cl)n2)n1)C(F)(F)F.CC(C)(COc1ccn(-c2ccc(C(=O)O)c(Cl)n2)n1)C(F)(F)F.C[C@@H]1CN(c2nc(-n3ccc(OCC(C)(C)C(F)(F)F)n3)ccc2C(=O)NS(=O)(=O)c2cccc([Si](C)(C)C)c2)C(C)(C)C1.C[C@@H]1CNC(C)(C)C1.C[Si](C)(C)c1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C30H40F3N5O4SSi.C23H26ClF3N4O4SSi.C14H13ClF3N3O3.C9H15NO2SSi.C7H15N/c1-20-17-29(4,5)37(18-20)26-23(27(39)36-43(40,41)21-10-9-11-22(16-21)44(6,7)8)12-13-24(34-26)38-15-14-25(35-38)42-19-28(2,3)30(31,32)33;1-22(2,23(25,26)27)14-35-19-11-12-31(29-19)18-10-9-17(20(24)28-18)21(32)30-36(33,34)15-7-6-8-16(13-15)37(3,4)5;1-13(2,14(16,17)18)7-24-10-5-6-21(20-10)9-4-3-8(12(22)23)11(15)19-9;1-14(2,3)9-6-4-5-8(7-9)13(10,11)12;1-6-4-7(2,3)8-5-6/h9-16,20H,17-19H2,1-8H3,(H,36,39);6-13H,14H2,1-5H3,(H,30,32);3-6H,7H2,1-2H3,(H,22,23);4-7H,1-3H3,(H2,10,11,12);6,8H,4-5H2,1-3H3/t20-;;;;6-/m0...0/s1
InChIKeyADARRZMZDAMUHD-RGIMQYPESA-N
XLogP15.94
TPSA359.03 Ų
H-Bond Donors5
H-Bond Acceptors23
Rotatable Bonds24
Heavy Atoms127
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001933.22
LogP ≤ 515.94
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1023

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 2-chloro-6-[3-(3,3,3-trifluoro-2,2-dimethylpropoxy)pyrazol-1-yl]pyridine-3-carboxylic acid;2-chloro-6-[3-(3,3,3-trifluoro-2,2-dimethylpropoxy)pyrazol-1-yl]-N-(3-trimethylsilylphenyl)sulfonylpyridine-3-carboxamide;6-[3-(3,3,3-trifluoro-2,2-dimethylpropoxy)pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]-N-(3-trimethylsilylphenyl)sulfonylpyridine-3-carboxamide;(4S)-2,2,4-trimethylpyrrolidine;3-trimethylsilylbenzenesulfonamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[3-(3,3,3-trifluoro-2,2-dimethylpropoxy)pyrazol-1-yl]pyridine-3-carboxylic acid;2-chloro-6-[3-(3,3,3-trifluoro-2,2-dimethylpropoxy)pyrazol-1-yl]-N-(3-trimethylsilylphenyl)sulfonylpyridine-3-carboxamide;6-[3-(3,3,3-trifluoro-2,2-dimethylpropoxy)pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]-N-(3-trimethylsilylphenyl)sulfonylpyridine-3-carboxamide;(4S)-2,2,4-trimethylpyrrolidine;3-trimethylsilylbenzenesulfonamide?
The IUPAC name of 2-chloro-6-[3-(3,3,3-trifluoro-2,2-dimethylpropoxy)pyrazol-1-yl]pyridine-3-carboxylic acid;2-chloro-6-[3-(3,3,3-trifluoro-2,2-dimethylpropoxy)pyrazol-1-yl]-N-(3-trimethylsilylphenyl)sulfonylpyridine-3-carboxamide;6-[3-(3,3,3-trifluoro-2,2-dimethylpropoxy)pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]-N-(3-trimethylsilylphenyl)sulfonylpyridine-3-carboxamide;(4S)-2,2,4-trimethylpyrrolidine;3-trimethylsilylbenzenesulfonamide (CID 157076591) is 2-chloro-6-[3-(3,3,3-trifluoro-2,2-dimethylpropoxy)pyrazol-1-yl]pyridine-3-carboxylic acid;2-chloro-6-[3-(3,3,3-trifluoro-2,2-dimethylpropoxy)pyrazol-1-yl]-N-(3-trimethylsilylphenyl)sulfonylpyridine-3-carboxamide;6-[3-(3,3,3-trifluoro-2,2-dimethylpropoxy)pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]-N-(3-trimethylsilylphenyl)sulfonylpyridine-3-carboxamide;(4S)-2,2,4-trimethylpyrrolidine;3-trimethylsilylbenzenesulfonamide.
What is the SMILES notation for 2-chloro-6-[3-(3,3,3-trifluoro-2,2-dimethylpropoxy)pyrazol-1-yl]pyridine-3-carboxylic acid;2-chloro-6-[3-(3,3,3-trifluoro-2,2-dimethylpropoxy)pyrazol-1-yl]-N-(3-trimethylsilylphenyl)sulfonylpyridine-3-carboxamide;6-[3-(3,3,3-trifluoro-2,2-dimethylpropoxy)pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]-N-(3-trimethylsilylphenyl)sulfonylpyridine-3-carboxamide;(4S)-2,2,4-trimethylpyrrolidine;3-trimethylsilylbenzenesulfonamide?
The canonical SMILES for 2-chloro-6-[3-(3,3,3-trifluoro-2,2-dimethylpropoxy)pyrazol-1-yl]pyridine-3-carboxylic acid;2-chloro-6-[3-(3,3,3-trifluoro-2,2-dimethylpropoxy)pyrazol-1-yl]-N-(3-trimethylsilylphenyl)sulfonylpyridine-3-carboxamide;6-[3-(3,3,3-trifluoro-2,2-dimethylpropoxy)pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]-N-(3-trimethylsilylphenyl)sulfonylpyridine-3-carboxamide;(4S)-2,2,4-trimethylpyrrolidine;3-trimethylsilylbenzenesulfonamide is CC(C)(COc1ccn(-c2ccc(C(=O)NS(=O)(=O)c3cccc([Si](C)(C)C)c3)c(Cl)n2)n1)C(F)(F)F.CC(C)(COc1ccn(-c2ccc(C(=O)O)c(Cl)n2)n1)C(F)(F)F.C[C@@H]1CN(c2nc(-n3ccc(OCC(C)(C)C(F)(F)F)n3)ccc2C(=O)NS(=O)(=O)c2cccc([Si](C)(C)C)c2)C(C)(C)C1.C[C@@H]1CNC(C)(C)C1.C[Si](C)(C)c1cccc(S(N)(=O)=O)c1.
What is the InChIKey of 2-chloro-6-[3-(3,3,3-trifluoro-2,2-dimethylpropoxy)pyrazol-1-yl]pyridine-3-carboxylic acid;2-chloro-6-[3-(3,3,3-trifluoro-2,2-dimethylpropoxy)pyrazol-1-yl]-N-(3-trimethylsilylphenyl)sulfonylpyridine-3-carboxamide;6-[3-(3,3,3-trifluoro-2,2-dimethylpropoxy)pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]-N-(3-trimethylsilylphenyl)sulfonylpyridine-3-carboxamide;(4S)-2,2,4-trimethylpyrrolidine;3-trimethylsilylbenzenesulfonamide?
The InChIKey is ADARRZMZDAMUHD-RGIMQYPESA-N. The full InChI is InChI=1S/C30H40F3N5O4SSi.C23H26ClF3N4O4SSi.C14H13ClF3N3O3.C9H15NO2SSi.C7H15N/c1-20-17-29(4,5)37(18-20)26-23(27(39)36-43(40,41)21-10-9-11-22(16-21)44(6,7)8)12-13-24(34-26)38-15-14-25(35-38)42-19-28(2,3)30(31,32)33;1-22(2,23(25,26)27)14-35-19-11-12-31(29-19)18-10-9-17(20(24)28-18)21(32)30-36(33,34)15-7-6-8-16(13-15)37(3,4)5;1-13(2,14(16,17)18)7-24-10-5-6-21(20-10)9-4-3-8(12(22)23)11(15)19-9;1-14(2,3)9-6-4-5-8(7-9)13(10,11)12;1-6-4-7(2,3)8-5-6/h9-16,20H,17-19H2,1-8H3,(H,36,39);6-13H,14H2,1-5H3,(H,30,32);3-6H,7H2,1-2H3,(H,22,23);4-7H,1-3H3,(H2,10,11,12);6,8H,4-5H2,1-3H3/t20-;;;;6-/m0...0/s1.
What are the key properties of 2-chloro-6-[3-(3,3,3-trifluoro-2,2-dimethylpropoxy)pyrazol-1-yl]pyridine-3-carboxylic acid;2-chloro-6-[3-(3,3,3-trifluoro-2,2-dimethylpropoxy)pyrazol-1-yl]-N-(3-trimethylsilylphenyl)sulfonylpyridine-3-carboxamide;6-[3-(3,3,3-trifluoro-2,2-dimethylpropoxy)pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]-N-(3-trimethylsilylphenyl)sulfonylpyridine-3-carboxamide;(4S)-2,2,4-trimethylpyrrolidine;3-trimethylsilylbenzenesulfonamide?
2-chloro-6-[3-(3,3,3-trifluoro-2,2-dimethylpropoxy)pyrazol-1-yl]pyridine-3-carboxylic acid;2-chloro-6-[3-(3,3,3-trifluoro-2,2-dimethylpropoxy)pyrazol-1-yl]-N-(3-trimethylsilylphenyl)sulfonylpyridine-3-carboxamide;6-[3-(3,3,3-trifluoro-2,2-dimethylpropoxy)pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]-N-(3-trimethylsilylphenyl)sulfonylpyridine-3-carboxamide;(4S)-2,2,4-trimethylpyrrolidine;3-trimethylsilylbenzenesulfonamide has a molecular weight of 1933.22 g/mol, XLogP of 15.94, 24 rotatable bonds, 5 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[3-(3,3,3-trifluoro-2,2-dimethylpropoxy)pyrazol-1-yl]pyridine-3-carboxylic acid;2-chloro-6-[3-(3,3,3-trifluoro-2,2-dimethylpropoxy)pyrazol-1-yl]-N-(3-trimethylsilylphenyl)sulfonylpyridine-3-carboxamide;6-[3-(3,3,3-trifluoro-2,2-dimethylpropoxy)pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]-N-(3-trimethylsilylphenyl)sulfonylpyridine-3-carboxamide;(4S)-2,2,4-trimethylpyrrolidine;3-trimethylsilylbenzenesulfonamide is sourced from PubChem (CID 157076591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).