tris(carbon dioxide);2-[4-methyl-6-(2-methylpropoxy)-3-pyridinyl]-5-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyrazine;trimethyl-[2-[[2-[5-[4-methyl-6-(2-methylpropoxy)-3-pyridinyl]pyrazin-2-yl]-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl]silane;trimethyl-[2-[[2-[5-[4-methyl-6-(2-methylpropoxy)-3-pyridinyl]pyrazin-2-yl]-5-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl]silane

C69H82F9N15O11Si2 — CID 162196225

IUPACtris(carbon dioxide);2-[4-methyl-6-(2-methylpropoxy)-3-pyridinyl]-5-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyrazine;trimethyl-[2-[[2-[5-[4-methyl-6-(2-methylpropoxy)-3-pyridinyl]pyrazin-2-yl]-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl]silane;trimethyl-[2-[[2-[5-[4-methyl-6-(2-methylpropoxy)-3-pyridinyl]pyrazin-2-yl]-5-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl]silane
SMILESCc1cc(OCC(C)C)ncc1-c1cnc(-c2nc(C(F)(F)F)cn2COCC[Si](C)(C)C)cn1.Cc1cc(OCC(C)C)ncc1-c1cnc(-c2ncc(C(F)(F)F)[nH]2)cn1.Cc1cc(OCC(C)C)ncc1-c1cnc(-c2ncc(C(F)(F)F)n2COCC[Si](C)(C)C)cn1.O=C=O.O=C=O.O=C=O
InChIInChI=1S/2C24H32F3N5O2Si.C18H18F3N5O.3CO2/c1-16(2)14-34-22-9-17(3)18(10-30-22)19-11-29-20(12-28-19)23-31-21(24(25,26)27)13-32(23)15-33-7-8-35(4,5)6;1-16(2)14-34-22-9-17(3)18(10-30-22)19-11-29-20(12-28-19)23-31-13-21(24(25,26)27)32(23)15-33-7-8-35(4,5)6;1-10(2)9-27-16-4-11(3)12(5-24-16)13-6-23-14(7-22-13)17-25-8-15(26-17)18(19,20)21;3*2-1-3/h2*9-13,16H,7-8,14-15H2,1-6H3;4-8,10H,9H2,1-3H3,(H,25,26);;;
InChIKeyZQYXUQVKICGMRB-UHFFFAOYSA-N
MW1524.66 g/mol
LogP14.69
Rot. Bonds25

About tris(carbon dioxide);2-[4-methyl-6-(2-methylpropoxy)-3-pyridinyl]-5-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyrazine;trimethyl-[2-[[2-[5-[4-methyl-6-(2-methylpropoxy)-3-pyridinyl]pyrazin-2-yl]-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl]silane;trimethyl-[2-[[2-[5-[4-methyl-6-(2-methylpropoxy)-3-pyridinyl]pyrazin-2-yl]-5-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl]silane

tris(carbon dioxide);2-[4-methyl-6-(2-methylpropoxy)-3-pyridinyl]-5-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyrazine;trimethyl-[2-[[2-[5-[4-methyl-6-(2-methylpropoxy)-3-pyridinyl]pyrazin-2-yl]-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl]silane;trimethyl-[2-[[2-[5-[4-methyl-6-(2-methylpropoxy)-3-pyridinyl]pyrazin-2-yl]-5-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl]silane (PubChem CID 162196225) has the molecular formula C69H82F9N15O11Si2 and a molecular weight of 1524.66 g/mol. Its IUPAC name is tris(carbon dioxide);2-[4-methyl-6-(2-methylpropoxy)-3-pyridinyl]-5-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyrazine;trimethyl-[2-[[2-[5-[4-methyl-6-(2-methylpropoxy)-3-pyridinyl]pyrazin-2-yl]-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl]silane;trimethyl-[2-[[2-[5-[4-methyl-6-(2-methylpropoxy)-3-pyridinyl]pyrazin-2-yl]-5-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl]silane.

Molecular Properties

Compound Nametris(carbon dioxide);2-[4-methyl-6-(2-methylpropoxy)-3-pyridinyl]-5-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyrazine;trimethyl-[2-[[2-[5-[4-methyl-6-(2-methylpropoxy)-3-pyridinyl]pyrazin-2-yl]-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl]silane;trimethyl-[2-[[2-[5-[4-methyl-6-(2-methylpropoxy)-3-pyridinyl]pyrazin-2-yl]-5-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl]silane
PubChem CID162196225
Molecular FormulaC69H82F9N15O11Si2
Molecular Weight1524.66 g/mol
Exact Mass1523.57
IUPAC Nametris(carbon dioxide);2-[4-methyl-6-(2-methylpropoxy)-3-pyridinyl]-5-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyrazine;trimethyl-[2-[[2-[5-[4-methyl-6-(2-methylpropoxy)-3-pyridinyl]pyrazin-2-yl]-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl]silane;trimethyl-[2-[[2-[5-[4-methyl-6-(2-methylpropoxy)-3-pyridinyl]pyrazin-2-yl]-5-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl]silane
SMILESCc1cc(OCC(C)C)ncc1-c1cnc(-c2nc(C(F)(F)F)cn2COCC[Si](C)(C)C)cn1.Cc1cc(OCC(C)C)ncc1-c1cnc(-c2ncc(C(F)(F)F)[nH]2)cn1.Cc1cc(OCC(C)C)ncc1-c1cnc(-c2ncc(C(F)(F)F)n2COCC[Si](C)(C)C)cn1.O=C=O.O=C=O.O=C=O
InChIInChI=1S/2C24H32F3N5O2Si.C18H18F3N5O.3CO2/c1-16(2)14-34-22-9-17(3)18(10-30-22)19-11-29-20(12-28-19)23-31-21(24(25,26)27)13-32(23)15-33-7-8-35(4,5)6;1-16(2)14-34-22-9-17(3)18(10-30-22)19-11-29-20(12-28-19)23-31-13-21(24(25,26)27)32(23)15-33-7-8-35(4,5)6;1-10(2)9-27-16-4-11(3)12(5-24-16)13-6-23-14(7-22-13)17-25-8-15(26-17)18(19,20)21;3*2-1-3/h2*9-13,16H,7-8,14-15H2,1-6H3;4-8,10H,9H2,1-3H3,(H,25,26);;;
InChIKeyZQYXUQVKICGMRB-UHFFFAOYSA-N
XLogP14.69
TPSA328.90 Ų
H-Bond Donors1
H-Bond Acceptors25
Rotatable Bonds25
Heavy Atoms106
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001524.66
LogP ≤ 514.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

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

Analyze tris(carbon dioxide);2-[4-methyl-6-(2-methylpropoxy)-3-pyridinyl]-5-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyrazine;trimethyl-[2-[[2-[5-[4-methyl-6-(2-methylpropoxy)-3-pyridinyl]pyrazin-2-yl]-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl]silane;trimethyl-[2-[[2-[5-[4-methyl-6-(2-methylpropoxy)-3-pyridinyl]pyrazin-2-yl]-5-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl]silane with MolForge

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Frequently Asked Questions

What is the IUPAC name of tris(carbon dioxide);2-[4-methyl-6-(2-methylpropoxy)-3-pyridinyl]-5-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyrazine;trimethyl-[2-[[2-[5-[4-methyl-6-(2-methylpropoxy)-3-pyridinyl]pyrazin-2-yl]-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl]silane;trimethyl-[2-[[2-[5-[4-methyl-6-(2-methylpropoxy)-3-pyridinyl]pyrazin-2-yl]-5-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl]silane?
The IUPAC name of tris(carbon dioxide);2-[4-methyl-6-(2-methylpropoxy)-3-pyridinyl]-5-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyrazine;trimethyl-[2-[[2-[5-[4-methyl-6-(2-methylpropoxy)-3-pyridinyl]pyrazin-2-yl]-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl]silane;trimethyl-[2-[[2-[5-[4-methyl-6-(2-methylpropoxy)-3-pyridinyl]pyrazin-2-yl]-5-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl]silane (CID 162196225) is tris(carbon dioxide);2-[4-methyl-6-(2-methylpropoxy)-3-pyridinyl]-5-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyrazine;trimethyl-[2-[[2-[5-[4-methyl-6-(2-methylpropoxy)-3-pyridinyl]pyrazin-2-yl]-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl]silane;trimethyl-[2-[[2-[5-[4-methyl-6-(2-methylpropoxy)-3-pyridinyl]pyrazin-2-yl]-5-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl]silane.
What is the SMILES notation for tris(carbon dioxide);2-[4-methyl-6-(2-methylpropoxy)-3-pyridinyl]-5-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyrazine;trimethyl-[2-[[2-[5-[4-methyl-6-(2-methylpropoxy)-3-pyridinyl]pyrazin-2-yl]-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl]silane;trimethyl-[2-[[2-[5-[4-methyl-6-(2-methylpropoxy)-3-pyridinyl]pyrazin-2-yl]-5-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl]silane?
The canonical SMILES for tris(carbon dioxide);2-[4-methyl-6-(2-methylpropoxy)-3-pyridinyl]-5-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyrazine;trimethyl-[2-[[2-[5-[4-methyl-6-(2-methylpropoxy)-3-pyridinyl]pyrazin-2-yl]-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl]silane;trimethyl-[2-[[2-[5-[4-methyl-6-(2-methylpropoxy)-3-pyridinyl]pyrazin-2-yl]-5-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl]silane is Cc1cc(OCC(C)C)ncc1-c1cnc(-c2nc(C(F)(F)F)cn2COCC[Si](C)(C)C)cn1.Cc1cc(OCC(C)C)ncc1-c1cnc(-c2ncc(C(F)(F)F)[nH]2)cn1.Cc1cc(OCC(C)C)ncc1-c1cnc(-c2ncc(C(F)(F)F)n2COCC[Si](C)(C)C)cn1.O=C=O.O=C=O.O=C=O.
What is the InChIKey of tris(carbon dioxide);2-[4-methyl-6-(2-methylpropoxy)-3-pyridinyl]-5-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyrazine;trimethyl-[2-[[2-[5-[4-methyl-6-(2-methylpropoxy)-3-pyridinyl]pyrazin-2-yl]-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl]silane;trimethyl-[2-[[2-[5-[4-methyl-6-(2-methylpropoxy)-3-pyridinyl]pyrazin-2-yl]-5-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl]silane?
The InChIKey is ZQYXUQVKICGMRB-UHFFFAOYSA-N. The full InChI is InChI=1S/2C24H32F3N5O2Si.C18H18F3N5O.3CO2/c1-16(2)14-34-22-9-17(3)18(10-30-22)19-11-29-20(12-28-19)23-31-21(24(25,26)27)13-32(23)15-33-7-8-35(4,5)6;1-16(2)14-34-22-9-17(3)18(10-30-22)19-11-29-20(12-28-19)23-31-13-21(24(25,26)27)32(23)15-33-7-8-35(4,5)6;1-10(2)9-27-16-4-11(3)12(5-24-16)13-6-23-14(7-22-13)17-25-8-15(26-17)18(19,20)21;3*2-1-3/h2*9-13,16H,7-8,14-15H2,1-6H3;4-8,10H,9H2,1-3H3,(H,25,26);;;.
What are the key properties of tris(carbon dioxide);2-[4-methyl-6-(2-methylpropoxy)-3-pyridinyl]-5-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyrazine;trimethyl-[2-[[2-[5-[4-methyl-6-(2-methylpropoxy)-3-pyridinyl]pyrazin-2-yl]-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl]silane;trimethyl-[2-[[2-[5-[4-methyl-6-(2-methylpropoxy)-3-pyridinyl]pyrazin-2-yl]-5-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl]silane?
tris(carbon dioxide);2-[4-methyl-6-(2-methylpropoxy)-3-pyridinyl]-5-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyrazine;trimethyl-[2-[[2-[5-[4-methyl-6-(2-methylpropoxy)-3-pyridinyl]pyrazin-2-yl]-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl]silane;trimethyl-[2-[[2-[5-[4-methyl-6-(2-methylpropoxy)-3-pyridinyl]pyrazin-2-yl]-5-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl]silane has a molecular weight of 1524.66 g/mol, XLogP of 14.69, 25 rotatable bonds, 1 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for tris(carbon dioxide);2-[4-methyl-6-(2-methylpropoxy)-3-pyridinyl]-5-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyrazine;trimethyl-[2-[[2-[5-[4-methyl-6-(2-methylpropoxy)-3-pyridinyl]pyrazin-2-yl]-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl]silane;trimethyl-[2-[[2-[5-[4-methyl-6-(2-methylpropoxy)-3-pyridinyl]pyrazin-2-yl]-5-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl]silane is sourced from PubChem (CID 162196225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).