diethoxymethoxyethane;[7-methyl-6-[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]methanamine;trimethyl-[2-[[3-methyl-4-[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]-1,5,7,10,11-pentazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-5-yl]methoxy]ethyl]silane

C55H81N9O9Si2 — CID 123681404

IUPACdiethoxymethoxyethane;[7-methyl-6-[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]methanamine;trimethyl-[2-[[3-methyl-4-[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]-1,5,7,10,11-pentazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-5-yl]methoxy]ethyl]silane
SMILESCCOC(OCC)OCC.Cc1c(-c2ccc(C3(C)OCCO3)cc2)n(COCC[Si](C)(C)C)c2ncc(CN)nc12.Cc1c(-c2ccc(C3(C)OCCO3)cc2)n(COCC[Si](C)(C)C)c2ncc3nncn3c12
InChIInChI=1S/C24H31N5O3Si.C24H34N4O3Si.C7H16O3/c1-17-21(18-6-8-19(9-7-18)24(2)31-10-11-32-24)29(16-30-12-13-33(3,4)5)23-22(17)28-15-26-27-20(28)14-25-23;1-17-21-23(26-15-20(14-25)27-21)28(16-29-12-13-32(3,4)5)22(17)18-6-8-19(9-7-18)24(2)30-10-11-31-24;1-4-8-7(9-5-2)10-6-3/h6-9,14-15H,10-13,16H2,1-5H3;6-9,15H,10-14,16,25H2,1-5H3;7H,4-6H2,1-3H3
InChIKeyPHSNPOAIVNIUFI-UHFFFAOYSA-N
MW1068.48 g/mol
LogP10.36
Rot. Bonds21

About diethoxymethoxyethane;[7-methyl-6-[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]methanamine;trimethyl-[2-[[3-methyl-4-[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]-1,5,7,10,11-pentazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-5-yl]methoxy]ethyl]silane

diethoxymethoxyethane;[7-methyl-6-[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]methanamine;trimethyl-[2-[[3-methyl-4-[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]-1,5,7,10,11-pentazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-5-yl]methoxy]ethyl]silane (PubChem CID 123681404) has the molecular formula C55H81N9O9Si2 and a molecular weight of 1068.48 g/mol. Its IUPAC name is diethoxymethoxyethane;[7-methyl-6-[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]methanamine;trimethyl-[2-[[3-methyl-4-[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]-1,5,7,10,11-pentazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-5-yl]methoxy]ethyl]silane.

Molecular Properties

Compound Namediethoxymethoxyethane;[7-methyl-6-[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]methanamine;trimethyl-[2-[[3-methyl-4-[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]-1,5,7,10,11-pentazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-5-yl]methoxy]ethyl]silane
PubChem CID123681404
Molecular FormulaC55H81N9O9Si2
Molecular Weight1068.48 g/mol
Exact Mass1067.57
IUPAC Namediethoxymethoxyethane;[7-methyl-6-[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]methanamine;trimethyl-[2-[[3-methyl-4-[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]-1,5,7,10,11-pentazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-5-yl]methoxy]ethyl]silane
SMILESCCOC(OCC)OCC.Cc1c(-c2ccc(C3(C)OCCO3)cc2)n(COCC[Si](C)(C)C)c2ncc(CN)nc12.Cc1c(-c2ccc(C3(C)OCCO3)cc2)n(COCC[Si](C)(C)C)c2ncc3nncn3c12
InChIInChI=1S/C24H31N5O3Si.C24H34N4O3Si.C7H16O3/c1-17-21(18-6-8-19(9-7-18)24(2)31-10-11-32-24)29(16-30-12-13-33(3,4)5)23-22(17)28-15-26-27-20(28)14-25-23;1-17-21-23(26-15-20(14-25)27-21)28(16-29-12-13-32(3,4)5)22(17)18-6-8-19(9-7-18)24(2)30-10-11-31-24;1-4-8-7(9-5-2)10-6-3/h6-9,14-15H,10-13,16H2,1-5H3;6-9,15H,10-14,16,25H2,1-5H3;7H,4-6H2,1-3H3
InChIKeyPHSNPOAIVNIUFI-UHFFFAOYSA-N
XLogP10.36
TPSA187.81 Ų
H-Bond Donors1
H-Bond Acceptors18
Rotatable Bonds21
Heavy Atoms75
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001068.48
LogP ≤ 510.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze diethoxymethoxyethane;[7-methyl-6-[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]methanamine;trimethyl-[2-[[3-methyl-4-[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]-1,5,7,10,11-pentazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-5-yl]methoxy]ethyl]silane with MolForge

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Related Compounds

3-[4-(1,3-dioxolan-2-yl)phenyl]-6-(2-methylpyrazol-3-yl)-N-(3,3,3-trifluoropropyl)imidazo[1,2-b]pyridazin-8-amine
CID 66692317
[3-Methyl-4-[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]-1,5,7,10,11-pentazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-5-yl] thiohypofluorite
CID 144197057
3-[4-(1,3-dioxolan-2-yl)phenyl]-6-(2-methylpyrazol-3-yl)-N-(3,3,3-trifluoropropyl)imidazo[1,2-b]pyridazin-8-amine;4-[6-(2-methylpyrazol-3-yl)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]benzaldehyde
CID 159174542
bis[(2,2,2-trifluoroacetyl)oxy]mercury;N-[[7-ethyl-6-[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]methyl]acetamide;2-[[3-ethyl-12-methyl-4-[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]-1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-5-yl]methoxy]ethyl-trimethylsilane
CID 159291540
6-chloro-3-[4-(1,3-dioxolan-2-yl)phenyl]-N-(3,3,3-trifluoropropyl)imidazo[1,2-b]pyridazin-8-amine;3-[4-(1,3-dioxolan-2-yl)phenyl]-6-(2-methylpyrazol-3-yl)-N-(3,3,3-trifluoropropyl)imidazo[1,2-b]pyridazin-8-amine
CID 159667362
2-[[3-Ethyl-12-methyl-4-[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]-5,7,11-triaza-1-azoniatricyclo[7.3.0.02,6]dodeca-1,3,6,8,10-pentaen-5-yl]methoxy]ethyl-trimethylsilane
CID 58381997
8-methyl-7-(4-(2-methyl-1,3-dioxolan-2-yl)phenyl)-6-((2-(trimethylsilyl)ethoxy)methyl)-6H-pyrrolo[2,3-e][1,2,4]triazolo[4,3-a]pyrazine
CID 58382089
1-Ethyl-2-(4-(2-methyl-1,3-dioxolan-2-yl)phenyl)-3-((2-(trimethylsilyl)ethoxy)methyl)-3H-dipyrrolo[1,2-a:2',3'-e]pyrazine
CID 58382163
(7-Ethyl-6-(4-(2-methyl-1,3-dioxolan-2-yl)phenyl)-5-((2-(trimethylsilyl)ethoxy)methyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl)methanamine
CID 58382194
[7-Methyl-6-[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]methanamine
CID 58382211
8-Ethyl-1-methyl-7-(4-(2-methyl-1,3-dioxolan-2-yl)phenyl)-6-((2-(trimethylsilyl)ethoxy)methyl)-6H-imidazo[1,5-a]pyrrolo[2,3-e]pyrazine
CID 58382283
2-[[2-(Azidomethyl)-7-ethyl-6-[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]pyrrolo[2,3-b]pyrazin-5-yl]methoxy]ethyl-trimethylsilane
CID 58382445

Frequently Asked Questions

What is the IUPAC name of diethoxymethoxyethane;[7-methyl-6-[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]methanamine;trimethyl-[2-[[3-methyl-4-[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]-1,5,7,10,11-pentazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-5-yl]methoxy]ethyl]silane?
The IUPAC name of diethoxymethoxyethane;[7-methyl-6-[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]methanamine;trimethyl-[2-[[3-methyl-4-[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]-1,5,7,10,11-pentazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-5-yl]methoxy]ethyl]silane (CID 123681404) is diethoxymethoxyethane;[7-methyl-6-[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]methanamine;trimethyl-[2-[[3-methyl-4-[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]-1,5,7,10,11-pentazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-5-yl]methoxy]ethyl]silane.
What is the SMILES notation for diethoxymethoxyethane;[7-methyl-6-[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]methanamine;trimethyl-[2-[[3-methyl-4-[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]-1,5,7,10,11-pentazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-5-yl]methoxy]ethyl]silane?
The canonical SMILES for diethoxymethoxyethane;[7-methyl-6-[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]methanamine;trimethyl-[2-[[3-methyl-4-[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]-1,5,7,10,11-pentazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-5-yl]methoxy]ethyl]silane is CCOC(OCC)OCC.Cc1c(-c2ccc(C3(C)OCCO3)cc2)n(COCC[Si](C)(C)C)c2ncc(CN)nc12.Cc1c(-c2ccc(C3(C)OCCO3)cc2)n(COCC[Si](C)(C)C)c2ncc3nncn3c12.
What is the InChIKey of diethoxymethoxyethane;[7-methyl-6-[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]methanamine;trimethyl-[2-[[3-methyl-4-[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]-1,5,7,10,11-pentazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-5-yl]methoxy]ethyl]silane?
The InChIKey is PHSNPOAIVNIUFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N5O3Si.C24H34N4O3Si.C7H16O3/c1-17-21(18-6-8-19(9-7-18)24(2)31-10-11-32-24)29(16-30-12-13-33(3,4)5)23-22(17)28-15-26-27-20(28)14-25-23;1-17-21-23(26-15-20(14-25)27-21)28(16-29-12-13-32(3,4)5)22(17)18-6-8-19(9-7-18)24(2)30-10-11-31-24;1-4-8-7(9-5-2)10-6-3/h6-9,14-15H,10-13,16H2,1-5H3;6-9,15H,10-14,16,25H2,1-5H3;7H,4-6H2,1-3H3.
What are the key properties of diethoxymethoxyethane;[7-methyl-6-[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]methanamine;trimethyl-[2-[[3-methyl-4-[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]-1,5,7,10,11-pentazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-5-yl]methoxy]ethyl]silane?
diethoxymethoxyethane;[7-methyl-6-[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]methanamine;trimethyl-[2-[[3-methyl-4-[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]-1,5,7,10,11-pentazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-5-yl]methoxy]ethyl]silane has a molecular weight of 1068.48 g/mol, XLogP of 10.36, 21 rotatable bonds, 1 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for diethoxymethoxyethane;[7-methyl-6-[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]methanamine;trimethyl-[2-[[3-methyl-4-[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]-1,5,7,10,11-pentazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-5-yl]methoxy]ethyl]silane is sourced from PubChem (CID 123681404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).