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

C40H67F6N7O4Si2 — CID 157328252

IUPAC(E)-1-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]-3-(dimethylamino)prop-2-en-1-one;tert-butyl-dimethyl-[[2-[2-(3,3,3-trifluoropropyl)pyrazol-3-yl]-3-pyridinyl]methoxy]silane;ethanol;3,3,3-trifluoropropylhydrazine
SMILESCC(C)(C)[Si](C)(C)OCc1cccnc1-c1ccnn1CCC(F)(F)F.CCO.CN(C)/C=C/C(=O)c1ncccc1CO[Si](C)(C)C(C)(C)C.NNCCC(F)(F)F
InChIInChI=1S/C18H26F3N3OSi.C17H28N2O2Si.C3H7F3N2.C2H6O/c1-17(2,3)26(4,5)25-13-14-7-6-10-22-16(14)15-8-11-23-24(15)12-9-18(19,20)21;1-17(2,3)22(6,7)21-13-14-9-8-11-18-16(14)15(20)10-12-19(4)5;4-3(5,6)1-2-8-7;1-2-3/h6-8,10-11H,9,12-13H2,1-5H3;8-12H,13H2,1-7H3;8H,1-2,7H2;3H,2H2,1H3/b;12-10+;;
InChIKeyBEZAZKQEXKZEKT-ATBZIPEESA-N
MW880.18 g/mol
LogP9.68
Rot. Bonds14

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

(E)-1-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]-3-(dimethylamino)prop-2-en-1-one;tert-butyl-dimethyl-[[2-[2-(3,3,3-trifluoropropyl)pyrazol-3-yl]-3-pyridinyl]methoxy]silane;ethanol;3,3,3-trifluoropropylhydrazine (PubChem CID 157328252) has the molecular formula C40H67F6N7O4Si2 and a molecular weight of 880.18 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-(3,3,3-trifluoropropyl)pyrazol-3-yl]-3-pyridinyl]methoxy]silane;ethanol;3,3,3-trifluoropropylhydrazine.

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-(3,3,3-trifluoropropyl)pyrazol-3-yl]-3-pyridinyl]methoxy]silane;ethanol;3,3,3-trifluoropropylhydrazine
PubChem CID157328252
Molecular FormulaC40H67F6N7O4Si2
Molecular Weight880.18 g/mol
Exact Mass879.47
IUPAC Name(E)-1-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]-3-(dimethylamino)prop-2-en-1-one;tert-butyl-dimethyl-[[2-[2-(3,3,3-trifluoropropyl)pyrazol-3-yl]-3-pyridinyl]methoxy]silane;ethanol;3,3,3-trifluoropropylhydrazine
SMILESCC(C)(C)[Si](C)(C)OCc1cccnc1-c1ccnn1CCC(F)(F)F.CCO.CN(C)/C=C/C(=O)c1ncccc1CO[Si](C)(C)C(C)(C)C.NNCCC(F)(F)F
InChIInChI=1S/C18H26F3N3OSi.C17H28N2O2Si.C3H7F3N2.C2H6O/c1-17(2,3)26(4,5)25-13-14-7-6-10-22-16(14)15-8-11-23-24(15)12-9-18(19,20)21;1-17(2,3)22(6,7)21-13-14-9-8-11-18-16(14)15(20)10-12-19(4)5;4-3(5,6)1-2-8-7;1-2-3/h6-8,10-11H,9,12-13H2,1-5H3;8-12H,13H2,1-7H3;8H,1-2,7H2;3H,2H2,1H3/b;12-10+;;
InChIKeyBEZAZKQEXKZEKT-ATBZIPEESA-N
XLogP9.68
TPSA140.65 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds14
Heavy Atoms59
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500880.18
LogP ≤ 59.68
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-(3,3,3-trifluoropropyl)pyrazol-3-yl]-3-pyridinyl]methoxy]silane;ethanol;3,3,3-trifluoropropylhydrazine 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-(3,3,3-trifluoropropyl)pyrazol-3-yl]-3-pyridinyl]methoxy]silane;ethanol;3,3,3-trifluoropropylhydrazine?
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-(3,3,3-trifluoropropyl)pyrazol-3-yl]-3-pyridinyl]methoxy]silane;ethanol;3,3,3-trifluoropropylhydrazine (CID 157328252) is (E)-1-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]-3-(dimethylamino)prop-2-en-1-one;tert-butyl-dimethyl-[[2-[2-(3,3,3-trifluoropropyl)pyrazol-3-yl]-3-pyridinyl]methoxy]silane;ethanol;3,3,3-trifluoropropylhydrazine.
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-(3,3,3-trifluoropropyl)pyrazol-3-yl]-3-pyridinyl]methoxy]silane;ethanol;3,3,3-trifluoropropylhydrazine?
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-(3,3,3-trifluoropropyl)pyrazol-3-yl]-3-pyridinyl]methoxy]silane;ethanol;3,3,3-trifluoropropylhydrazine is CC(C)(C)[Si](C)(C)OCc1cccnc1-c1ccnn1CCC(F)(F)F.CCO.CN(C)/C=C/C(=O)c1ncccc1CO[Si](C)(C)C(C)(C)C.NNCCC(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-(3,3,3-trifluoropropyl)pyrazol-3-yl]-3-pyridinyl]methoxy]silane;ethanol;3,3,3-trifluoropropylhydrazine?
The InChIKey is BEZAZKQEXKZEKT-ATBZIPEESA-N. The full InChI is InChI=1S/C18H26F3N3OSi.C17H28N2O2Si.C3H7F3N2.C2H6O/c1-17(2,3)26(4,5)25-13-14-7-6-10-22-16(14)15-8-11-23-24(15)12-9-18(19,20)21;1-17(2,3)22(6,7)21-13-14-9-8-11-18-16(14)15(20)10-12-19(4)5;4-3(5,6)1-2-8-7;1-2-3/h6-8,10-11H,9,12-13H2,1-5H3;8-12H,13H2,1-7H3;8H,1-2,7H2;3H,2H2,1H3/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-(3,3,3-trifluoropropyl)pyrazol-3-yl]-3-pyridinyl]methoxy]silane;ethanol;3,3,3-trifluoropropylhydrazine?
(E)-1-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]-3-(dimethylamino)prop-2-en-1-one;tert-butyl-dimethyl-[[2-[2-(3,3,3-trifluoropropyl)pyrazol-3-yl]-3-pyridinyl]methoxy]silane;ethanol;3,3,3-trifluoropropylhydrazine has a molecular weight of 880.18 g/mol, XLogP of 9.68, 14 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-(3,3,3-trifluoropropyl)pyrazol-3-yl]-3-pyridinyl]methoxy]silane;ethanol;3,3,3-trifluoropropylhydrazine is sourced from PubChem (CID 157328252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).