[2-[[4-furo[3,2-b]pyridin-2-yl-2,5-dioxo-1-(2-trimethylsilylethoxymethyl)imidazolidin-4-yl]methyl]-3-oxo-1H-isoindol-5-yl] trifluoromethanesulfonate

C26H27F3N4O8SSi — CID 58053363

IUPAC[2-[[4-furo[3,2-b]pyridin-2-yl-2,5-dioxo-1-(2-trimethylsilylethoxymethyl)imidazolidin-4-yl]methyl]-3-oxo-1H-isoindol-5-yl] trifluoromethanesulfonate
SMILESC[Si](C)(C)CCOCN1C(=O)NC(CN2Cc3ccc(OS(=O)(=O)C(F)(F)F)cc3C2=O)(c2cc3ncccc3o2)C1=O
InChIInChI=1S/C26H27F3N4O8SSi/c1-43(2,3)10-9-39-15-33-23(35)25(31-24(33)36,21-12-19-20(40-21)5-4-8-30-19)14-32-13-16-6-7-17(11-18(16)22(32)34)41-42(37,38)26(27,28)29/h4-8,11-12H,9-10,13-15H2,1-3H3,(H,31,36)
InChIKeyRZLDSNFXAORGFC-UHFFFAOYSA-N
MW640.67 g/mol
LogP3.77
Rot. Bonds10

About [2-[[4-furo[3,2-b]pyridin-2-yl-2,5-dioxo-1-(2-trimethylsilylethoxymethyl)imidazolidin-4-yl]methyl]-3-oxo-1H-isoindol-5-yl] trifluoromethanesulfonate

[2-[[4-furo[3,2-b]pyridin-2-yl-2,5-dioxo-1-(2-trimethylsilylethoxymethyl)imidazolidin-4-yl]methyl]-3-oxo-1H-isoindol-5-yl] trifluoromethanesulfonate (PubChem CID 58053363) has the molecular formula C26H27F3N4O8SSi and a molecular weight of 640.67 g/mol. Its IUPAC name is [2-[[4-furo[3,2-b]pyridin-2-yl-2,5-dioxo-1-(2-trimethylsilylethoxymethyl)imidazolidin-4-yl]methyl]-3-oxo-1H-isoindol-5-yl] trifluoromethanesulfonate.

Molecular Properties

Compound Name[2-[[4-furo[3,2-b]pyridin-2-yl-2,5-dioxo-1-(2-trimethylsilylethoxymethyl)imidazolidin-4-yl]methyl]-3-oxo-1H-isoindol-5-yl] trifluoromethanesulfonate
PubChem CID58053363
Molecular FormulaC26H27F3N4O8SSi
Molecular Weight640.67 g/mol
Exact Mass640.13
IUPAC Name[2-[[4-furo[3,2-b]pyridin-2-yl-2,5-dioxo-1-(2-trimethylsilylethoxymethyl)imidazolidin-4-yl]methyl]-3-oxo-1H-isoindol-5-yl] trifluoromethanesulfonate
SMILESC[Si](C)(C)CCOCN1C(=O)NC(CN2Cc3ccc(OS(=O)(=O)C(F)(F)F)cc3C2=O)(c2cc3ncccc3o2)C1=O
InChIInChI=1S/C26H27F3N4O8SSi/c1-43(2,3)10-9-39-15-33-23(35)25(31-24(33)36,21-12-19-20(40-21)5-4-8-30-19)14-32-13-16-6-7-17(11-18(16)22(32)34)41-42(37,38)26(27,28)29/h4-8,11-12H,9-10,13-15H2,1-3H3,(H,31,36)
InChIKeyRZLDSNFXAORGFC-UHFFFAOYSA-N
XLogP3.77
TPSA148.35 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500640.67
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}, {'alert_name': 'triflate', 'substructure': 'N/A'}

Analyze [2-[[4-furo[3,2-b]pyridin-2-yl-2,5-dioxo-1-(2-trimethylsilylethoxymethyl)imidazolidin-4-yl]methyl]-3-oxo-1H-isoindol-5-yl] trifluoromethanesulfonate with MolForge

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Frequently Asked Questions

What is the IUPAC name of [2-[[4-furo[3,2-b]pyridin-2-yl-2,5-dioxo-1-(2-trimethylsilylethoxymethyl)imidazolidin-4-yl]methyl]-3-oxo-1H-isoindol-5-yl] trifluoromethanesulfonate?
The IUPAC name of [2-[[4-furo[3,2-b]pyridin-2-yl-2,5-dioxo-1-(2-trimethylsilylethoxymethyl)imidazolidin-4-yl]methyl]-3-oxo-1H-isoindol-5-yl] trifluoromethanesulfonate (CID 58053363) is [2-[[4-furo[3,2-b]pyridin-2-yl-2,5-dioxo-1-(2-trimethylsilylethoxymethyl)imidazolidin-4-yl]methyl]-3-oxo-1H-isoindol-5-yl] trifluoromethanesulfonate.
What is the SMILES notation for [2-[[4-furo[3,2-b]pyridin-2-yl-2,5-dioxo-1-(2-trimethylsilylethoxymethyl)imidazolidin-4-yl]methyl]-3-oxo-1H-isoindol-5-yl] trifluoromethanesulfonate?
The canonical SMILES for [2-[[4-furo[3,2-b]pyridin-2-yl-2,5-dioxo-1-(2-trimethylsilylethoxymethyl)imidazolidin-4-yl]methyl]-3-oxo-1H-isoindol-5-yl] trifluoromethanesulfonate is C[Si](C)(C)CCOCN1C(=O)NC(CN2Cc3ccc(OS(=O)(=O)C(F)(F)F)cc3C2=O)(c2cc3ncccc3o2)C1=O.
What is the InChIKey of [2-[[4-furo[3,2-b]pyridin-2-yl-2,5-dioxo-1-(2-trimethylsilylethoxymethyl)imidazolidin-4-yl]methyl]-3-oxo-1H-isoindol-5-yl] trifluoromethanesulfonate?
The InChIKey is RZLDSNFXAORGFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27F3N4O8SSi/c1-43(2,3)10-9-39-15-33-23(35)25(31-24(33)36,21-12-19-20(40-21)5-4-8-30-19)14-32-13-16-6-7-17(11-18(16)22(32)34)41-42(37,38)26(27,28)29/h4-8,11-12H,9-10,13-15H2,1-3H3,(H,31,36).
What are the key properties of [2-[[4-furo[3,2-b]pyridin-2-yl-2,5-dioxo-1-(2-trimethylsilylethoxymethyl)imidazolidin-4-yl]methyl]-3-oxo-1H-isoindol-5-yl] trifluoromethanesulfonate?
[2-[[4-furo[3,2-b]pyridin-2-yl-2,5-dioxo-1-(2-trimethylsilylethoxymethyl)imidazolidin-4-yl]methyl]-3-oxo-1H-isoindol-5-yl] trifluoromethanesulfonate has a molecular weight of 640.67 g/mol, XLogP of 3.77, 10 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[4-furo[3,2-b]pyridin-2-yl-2,5-dioxo-1-(2-trimethylsilylethoxymethyl)imidazolidin-4-yl]methyl]-3-oxo-1H-isoindol-5-yl] trifluoromethanesulfonate is sourced from PubChem (CID 58053363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).