(E)-1-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]-3-(dimethylamino)prop-2-en-1-one;tert-butyl-dimethyl-[[2-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]-3-pyridinyl]methoxy]silane;ethanol;methane;2,2,2-trifluoroethylhydrazine

C39H67F6N7O4Si2 — CID 161434515

IUPAC(E)-1-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]-3-(dimethylamino)prop-2-en-1-one;tert-butyl-dimethyl-[[2-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]-3-pyridinyl]methoxy]silane;ethanol;methane;2,2,2-trifluoroethylhydrazine
SMILESC.CC(C)(C)[Si](C)(C)OCc1cccnc1-c1ccnn1CC(F)(F)F.CCO.CN(C)/C=C/C(=O)c1ncccc1CO[Si](C)(C)C(C)(C)C.NNCC(F)(F)F
InChIInChI=1S/C17H24F3N3OSi.C17H28N2O2Si.C2H5F3N2.C2H6O.CH4/c1-16(2,3)25(4,5)24-11-13-7-6-9-21-15(13)14-8-10-22-23(14)12-17(18,19)20;1-17(2,3)22(6,7)21-13-14-9-8-11-18-16(14)15(20)10-12-19(4)5;3-2(4,5)1-7-6;1-2-3;/h6-10H,11-12H2,1-5H3;8-12H,13H2,1-7H3;7H,1,6H2;3H,2H2,1H3;1H4/b;12-10+;;;
InChIKeyVYLSGGUOHXBIAO-UKLMMHHFSA-N
MW868.17 g/mol
LogP9.54
Rot. Bonds12

About (E)-1-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]-3-(dimethylamino)prop-2-en-1-one;tert-butyl-dimethyl-[[2-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]-3-pyridinyl]methoxy]silane;ethanol;methane;2,2,2-trifluoroethylhydrazine

(E)-1-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]-3-(dimethylamino)prop-2-en-1-one;tert-butyl-dimethyl-[[2-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]-3-pyridinyl]methoxy]silane;ethanol;methane;2,2,2-trifluoroethylhydrazine (PubChem CID 161434515) has the molecular formula C39H67F6N7O4Si2 and a molecular weight of 868.17 g/mol. Its IUPAC name is (E)-1-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]-3-(dimethylamino)prop-2-en-1-one;tert-butyl-dimethyl-[[2-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]-3-pyridinyl]methoxy]silane;ethanol;methane;2,2,2-trifluoroethylhydrazine.

Molecular Properties

Compound Name(E)-1-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]-3-(dimethylamino)prop-2-en-1-one;tert-butyl-dimethyl-[[2-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]-3-pyridinyl]methoxy]silane;ethanol;methane;2,2,2-trifluoroethylhydrazine
PubChem CID161434515
Molecular FormulaC39H67F6N7O4Si2
Molecular Weight868.17 g/mol
Exact Mass867.47
IUPAC Name(E)-1-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]-3-(dimethylamino)prop-2-en-1-one;tert-butyl-dimethyl-[[2-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]-3-pyridinyl]methoxy]silane;ethanol;methane;2,2,2-trifluoroethylhydrazine
SMILESC.CC(C)(C)[Si](C)(C)OCc1cccnc1-c1ccnn1CC(F)(F)F.CCO.CN(C)/C=C/C(=O)c1ncccc1CO[Si](C)(C)C(C)(C)C.NNCC(F)(F)F
InChIInChI=1S/C17H24F3N3OSi.C17H28N2O2Si.C2H5F3N2.C2H6O.CH4/c1-16(2,3)25(4,5)24-11-13-7-6-9-21-15(13)14-8-10-22-23(14)12-17(18,19)20;1-17(2,3)22(6,7)21-13-14-9-8-11-18-16(14)15(20)10-12-19(4)5;3-2(4,5)1-7-6;1-2-3;/h6-10H,11-12H2,1-5H3;8-12H,13H2,1-7H3;7H,1,6H2;3H,2H2,1H3;1H4/b;12-10+;;;
InChIKeyVYLSGGUOHXBIAO-UKLMMHHFSA-N
XLogP9.54
TPSA140.65 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds12
Heavy Atoms58
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500868.17
LogP ≤ 59.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (E)-1-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]-3-(dimethylamino)prop-2-en-1-one;tert-butyl-dimethyl-[[2-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]-3-pyridinyl]methoxy]silane;ethanol;methane;2,2,2-trifluoroethylhydrazine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (E)-1-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]-3-(dimethylamino)prop-2-en-1-one;tert-butyl-dimethyl-[[2-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]-3-pyridinyl]methoxy]silane;ethanol;methane;2,2,2-trifluoroethylhydrazine?
The IUPAC name of (E)-1-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]-3-(dimethylamino)prop-2-en-1-one;tert-butyl-dimethyl-[[2-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]-3-pyridinyl]methoxy]silane;ethanol;methane;2,2,2-trifluoroethylhydrazine (CID 161434515) is (E)-1-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]-3-(dimethylamino)prop-2-en-1-one;tert-butyl-dimethyl-[[2-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]-3-pyridinyl]methoxy]silane;ethanol;methane;2,2,2-trifluoroethylhydrazine.
What is the SMILES notation for (E)-1-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]-3-(dimethylamino)prop-2-en-1-one;tert-butyl-dimethyl-[[2-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]-3-pyridinyl]methoxy]silane;ethanol;methane;2,2,2-trifluoroethylhydrazine?
The canonical SMILES for (E)-1-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]-3-(dimethylamino)prop-2-en-1-one;tert-butyl-dimethyl-[[2-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]-3-pyridinyl]methoxy]silane;ethanol;methane;2,2,2-trifluoroethylhydrazine is C.CC(C)(C)[Si](C)(C)OCc1cccnc1-c1ccnn1CC(F)(F)F.CCO.CN(C)/C=C/C(=O)c1ncccc1CO[Si](C)(C)C(C)(C)C.NNCC(F)(F)F.
What is the InChIKey of (E)-1-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]-3-(dimethylamino)prop-2-en-1-one;tert-butyl-dimethyl-[[2-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]-3-pyridinyl]methoxy]silane;ethanol;methane;2,2,2-trifluoroethylhydrazine?
The InChIKey is VYLSGGUOHXBIAO-UKLMMHHFSA-N. The full InChI is InChI=1S/C17H24F3N3OSi.C17H28N2O2Si.C2H5F3N2.C2H6O.CH4/c1-16(2,3)25(4,5)24-11-13-7-6-9-21-15(13)14-8-10-22-23(14)12-17(18,19)20;1-17(2,3)22(6,7)21-13-14-9-8-11-18-16(14)15(20)10-12-19(4)5;3-2(4,5)1-7-6;1-2-3;/h6-10H,11-12H2,1-5H3;8-12H,13H2,1-7H3;7H,1,6H2;3H,2H2,1H3;1H4/b;12-10+;;;.
What are the key properties of (E)-1-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]-3-(dimethylamino)prop-2-en-1-one;tert-butyl-dimethyl-[[2-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]-3-pyridinyl]methoxy]silane;ethanol;methane;2,2,2-trifluoroethylhydrazine?
(E)-1-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]-3-(dimethylamino)prop-2-en-1-one;tert-butyl-dimethyl-[[2-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]-3-pyridinyl]methoxy]silane;ethanol;methane;2,2,2-trifluoroethylhydrazine has a molecular weight of 868.17 g/mol, XLogP of 9.54, 12 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]-3-(dimethylamino)prop-2-en-1-one;tert-butyl-dimethyl-[[2-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]-3-pyridinyl]methoxy]silane;ethanol;methane;2,2,2-trifluoroethylhydrazine is sourced from PubChem (CID 161434515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).