sodium;bis(carbon dioxide);2-[[3-[6-[6-(2,2-dimethylpropoxy)-3-pyridinyl]-3-pyridinyl]-5-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;trimethyl-[2-[[3-[6-[6-(2-methylpropoxy)-3-pyridinyl]-3-pyridinyl]-5-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl]silane;hydroxide

C49H63F6N10NaO9Si2 — CID 157271961

IUPACsodium;bis(carbon dioxide);2-[[3-[6-[6-(2,2-dimethylpropoxy)-3-pyridinyl]-3-pyridinyl]-5-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;trimethyl-[2-[[3-[6-[6-(2-methylpropoxy)-3-pyridinyl]-3-pyridinyl]-5-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl]silane;hydroxide
SMILESCC(C)(C)COc1ccc(-c2ccc(-c3nc(C(F)(F)F)n(COCC[Si](C)(C)C)n3)cn2)cn1.CC(C)COc1ccc(-c2ccc(-c3nc(C(F)(F)F)n(COCC[Si](C)(C)C)n3)cn2)cn1.O=C=O.O=C=O.[Na+].[OH-]
InChIInChI=1S/C24H32F3N5O2Si.C23H30F3N5O2Si.2CO2.Na.H2O/c1-23(2,3)15-34-20-10-8-17(13-29-20)19-9-7-18(14-28-19)21-30-22(24(25,26)27)32(31-21)16-33-11-12-35(4,5)6;1-16(2)14-33-20-9-7-17(12-28-20)19-8-6-18(13-27-19)21-29-22(23(24,25)26)31(30-21)15-32-10-11-34(3,4)5;2*2-1-3;;/h7-10,13-14H,11-12,15-16H2,1-6H3;6-9,12-13,16H,10-11,14-15H2,1-5H3;;;;1H2/q;;;;+1;/p-1
InChIKeyAYQKQJXKBJREMG-UHFFFAOYSA-M
MW1129.25 g/mol
LogP7.59
Rot. Bonds19

About sodium;bis(carbon dioxide);2-[[3-[6-[6-(2,2-dimethylpropoxy)-3-pyridinyl]-3-pyridinyl]-5-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;trimethyl-[2-[[3-[6-[6-(2-methylpropoxy)-3-pyridinyl]-3-pyridinyl]-5-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl]silane;hydroxide

sodium;bis(carbon dioxide);2-[[3-[6-[6-(2,2-dimethylpropoxy)-3-pyridinyl]-3-pyridinyl]-5-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;trimethyl-[2-[[3-[6-[6-(2-methylpropoxy)-3-pyridinyl]-3-pyridinyl]-5-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl]silane;hydroxide (PubChem CID 157271961) has the molecular formula C49H63F6N10NaO9Si2 and a molecular weight of 1129.25 g/mol. Its IUPAC name is sodium;bis(carbon dioxide);2-[[3-[6-[6-(2,2-dimethylpropoxy)-3-pyridinyl]-3-pyridinyl]-5-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;trimethyl-[2-[[3-[6-[6-(2-methylpropoxy)-3-pyridinyl]-3-pyridinyl]-5-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl]silane;hydroxide.

Molecular Properties

Compound Namesodium;bis(carbon dioxide);2-[[3-[6-[6-(2,2-dimethylpropoxy)-3-pyridinyl]-3-pyridinyl]-5-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;trimethyl-[2-[[3-[6-[6-(2-methylpropoxy)-3-pyridinyl]-3-pyridinyl]-5-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl]silane;hydroxide
PubChem CID157271961
Molecular FormulaC49H63F6N10NaO9Si2
Molecular Weight1129.25 g/mol
Exact Mass1128.41
IUPAC Namesodium;bis(carbon dioxide);2-[[3-[6-[6-(2,2-dimethylpropoxy)-3-pyridinyl]-3-pyridinyl]-5-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;trimethyl-[2-[[3-[6-[6-(2-methylpropoxy)-3-pyridinyl]-3-pyridinyl]-5-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl]silane;hydroxide
SMILESCC(C)(C)COc1ccc(-c2ccc(-c3nc(C(F)(F)F)n(COCC[Si](C)(C)C)n3)cn2)cn1.CC(C)COc1ccc(-c2ccc(-c3nc(C(F)(F)F)n(COCC[Si](C)(C)C)n3)cn2)cn1.O=C=O.O=C=O.[Na+].[OH-]
InChIInChI=1S/C24H32F3N5O2Si.C23H30F3N5O2Si.2CO2.Na.H2O/c1-23(2,3)15-34-20-10-8-17(13-29-20)19-9-7-18(14-28-19)21-30-22(24(25,26)27)32(31-21)16-33-11-12-35(4,5)6;1-16(2)14-33-20-9-7-17(12-28-20)19-8-6-18(13-27-19)21-29-22(23(24,25)26)31(30-21)15-32-10-11-34(3,4)5;2*2-1-3;;/h7-10,13-14H,11-12,15-16H2,1-6H3;6-9,12-13,16H,10-11,14-15H2,1-5H3;;;;1H2/q;;;;+1;/p-1
InChIKeyAYQKQJXKBJREMG-UHFFFAOYSA-M
XLogP7.59
TPSA248.18 Ų
H-Bond Donors
H-Bond Acceptors19
Rotatable Bonds19
Heavy Atoms77
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001129.25
LogP ≤ 57.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze sodium;bis(carbon dioxide);2-[[3-[6-[6-(2,2-dimethylpropoxy)-3-pyridinyl]-3-pyridinyl]-5-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;trimethyl-[2-[[3-[6-[6-(2-methylpropoxy)-3-pyridinyl]-3-pyridinyl]-5-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl]silane;hydroxide with MolForge

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Related Compounds

US10308636, Example 77
CID 123407016
2,2-Dimethyl-3-[5-[5-[5-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]pyridin-2-yl]pyridin-2-yl]oxypropanoic acid
CID 123241190
Methyl 2,2-dimethyl-3-[4-methyl-5-[5-[5-(2,2,2-trifluoroethoxy)-1-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]pyridin-2-yl]pyridin-2-yl]oxypropanoate
CID 123283965
Methyl 2,2-dimethyl-3-[4-methyl-5-[6-[5-(trifluoromethyl)-2-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]pyridin-3-yl]pyridin-2-yl]oxypropanoate
CID 123313377
2,2-Dimethyl-3-[5-[6-[5-(trifluoromethyl)-2-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]pyridin-3-yl]pyridin-2-yl]oxypropanoic acid
CID 123323897
2-[[3-[6-[6-(2,2-Dimethylpropoxy)-3-pyridinyl]-3-pyridinyl]-5-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane
CID 123343673
Tert-butyl 2,2-dimethyl-3-[4-[5-[5-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]-2-pyridinyl]phenoxy]propanoate
CID 123478215
Trimethyl-[2-[[3-[6-[6-(2-methylpropoxy)-3-pyridinyl]-3-pyridinyl]-5-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl]silane
CID 123575843
Methyl 2,2-dimethyl-3-[5-[6-[5-(trifluoromethyl)-2-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]pyridin-3-yl]pyridin-2-yl]oxypropanoate
CID 123638300
Methyl 2,2-dimethyl-3-[4-methyl-5-[5-[5-(2,2,3,3,3-pentafluoropropoxy)-1-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]pyridin-2-yl]pyridin-2-yl]oxypropanoate
CID 123638943
Methyl 2,2-dimethyl-3-[4-methyl-5-[6-[5-(2,2,2-trifluoroethoxy)-1-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]pyridin-3-yl]pyridin-2-yl]oxypropanoate
CID 123654337
Methyl 3-[[5-[5-[5-(4-fluorophenoxy)-1-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]-2-pyridinyl]-4-methyl-2-pyridinyl]oxy]-2,2-dimethylpropanoate
CID 123734938

Frequently Asked Questions

What is the IUPAC name of sodium;bis(carbon dioxide);2-[[3-[6-[6-(2,2-dimethylpropoxy)-3-pyridinyl]-3-pyridinyl]-5-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;trimethyl-[2-[[3-[6-[6-(2-methylpropoxy)-3-pyridinyl]-3-pyridinyl]-5-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl]silane;hydroxide?
The IUPAC name of sodium;bis(carbon dioxide);2-[[3-[6-[6-(2,2-dimethylpropoxy)-3-pyridinyl]-3-pyridinyl]-5-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;trimethyl-[2-[[3-[6-[6-(2-methylpropoxy)-3-pyridinyl]-3-pyridinyl]-5-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl]silane;hydroxide (CID 157271961) is sodium;bis(carbon dioxide);2-[[3-[6-[6-(2,2-dimethylpropoxy)-3-pyridinyl]-3-pyridinyl]-5-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;trimethyl-[2-[[3-[6-[6-(2-methylpropoxy)-3-pyridinyl]-3-pyridinyl]-5-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl]silane;hydroxide.
What is the SMILES notation for sodium;bis(carbon dioxide);2-[[3-[6-[6-(2,2-dimethylpropoxy)-3-pyridinyl]-3-pyridinyl]-5-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;trimethyl-[2-[[3-[6-[6-(2-methylpropoxy)-3-pyridinyl]-3-pyridinyl]-5-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl]silane;hydroxide?
The canonical SMILES for sodium;bis(carbon dioxide);2-[[3-[6-[6-(2,2-dimethylpropoxy)-3-pyridinyl]-3-pyridinyl]-5-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;trimethyl-[2-[[3-[6-[6-(2-methylpropoxy)-3-pyridinyl]-3-pyridinyl]-5-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl]silane;hydroxide is CC(C)(C)COc1ccc(-c2ccc(-c3nc(C(F)(F)F)n(COCC[Si](C)(C)C)n3)cn2)cn1.CC(C)COc1ccc(-c2ccc(-c3nc(C(F)(F)F)n(COCC[Si](C)(C)C)n3)cn2)cn1.O=C=O.O=C=O.[Na+].[OH-].
What is the InChIKey of sodium;bis(carbon dioxide);2-[[3-[6-[6-(2,2-dimethylpropoxy)-3-pyridinyl]-3-pyridinyl]-5-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;trimethyl-[2-[[3-[6-[6-(2-methylpropoxy)-3-pyridinyl]-3-pyridinyl]-5-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl]silane;hydroxide?
The InChIKey is AYQKQJXKBJREMG-UHFFFAOYSA-M. The full InChI is InChI=1S/C24H32F3N5O2Si.C23H30F3N5O2Si.2CO2.Na.H2O/c1-23(2,3)15-34-20-10-8-17(13-29-20)19-9-7-18(14-28-19)21-30-22(24(25,26)27)32(31-21)16-33-11-12-35(4,5)6;1-16(2)14-33-20-9-7-17(12-28-20)19-8-6-18(13-27-19)21-29-22(23(24,25)26)31(30-21)15-32-10-11-34(3,4)5;2*2-1-3;;/h7-10,13-14H,11-12,15-16H2,1-6H3;6-9,12-13,16H,10-11,14-15H2,1-5H3;;;;1H2/q;;;;+1;/p-1.
What are the key properties of sodium;bis(carbon dioxide);2-[[3-[6-[6-(2,2-dimethylpropoxy)-3-pyridinyl]-3-pyridinyl]-5-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;trimethyl-[2-[[3-[6-[6-(2-methylpropoxy)-3-pyridinyl]-3-pyridinyl]-5-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl]silane;hydroxide?
sodium;bis(carbon dioxide);2-[[3-[6-[6-(2,2-dimethylpropoxy)-3-pyridinyl]-3-pyridinyl]-5-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;trimethyl-[2-[[3-[6-[6-(2-methylpropoxy)-3-pyridinyl]-3-pyridinyl]-5-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl]silane;hydroxide has a molecular weight of 1129.25 g/mol, XLogP of 7.59, 19 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;bis(carbon dioxide);2-[[3-[6-[6-(2,2-dimethylpropoxy)-3-pyridinyl]-3-pyridinyl]-5-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;trimethyl-[2-[[3-[6-[6-(2-methylpropoxy)-3-pyridinyl]-3-pyridinyl]-5-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl]silane;hydroxide is sourced from PubChem (CID 157271961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).