[2-[[(4R)-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 160682409

IUPAC[2-[[(4R)-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)N[C@](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)/t25-/m1/s1
InChIKeyRZLDSNFXAORGFC-RUZDIDTESA-N
MW640.67 g/mol
LogP3.77
Rot. Bonds10

About [2-[[(4R)-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-[[(4R)-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 160682409) has the molecular formula C26H27F3N4O8SSi and a molecular weight of 640.67 g/mol. Its IUPAC name is [2-[[(4R)-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-[[(4R)-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 CID160682409
Molecular FormulaC26H27F3N4O8SSi
Molecular Weight640.67 g/mol
Exact Mass640.13
IUPAC Name[2-[[(4R)-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)N[C@](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)/t25-/m1/s1
InChIKeyRZLDSNFXAORGFC-RUZDIDTESA-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-[[(4R)-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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Launch Full Analysis

Related Compounds

(5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(6-methylfuro[3,2-c]pyridin-2-yl)imidazolidine-2,4-dione
CID 46198902
(5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[5-(3-oxopiperazin-1-yl)furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione
CID 46199503
(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[5-(1H-pyrazol-4-yl)furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione
CID 46200599
(5S)-5-furo[3,2-b]pyridin-2-yl-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione
CID 57561259
(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(7-methylfuro[3,2-c]pyridin-2-yl)imidazolidine-2,4-dione
CID 57561279
(5S)-5-furo[3,2-c]pyridin-2-yl-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione
CID 57561293
(5S)-5-furo[2,3-b]pyridin-2-yl-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione
CID 57561367
(5S)-5-[5-(2,4-dioxoimidazolidin-1-yl)-6-fluorofuro[3,2-b]pyridin-2-yl]-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione
CID 58053137
2-[(4S)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-methylfuro[3,2-b]pyridine-6-carboxamide
CID 58053165
(5S)-5-(5-aminofuro[3,2-b]pyridin-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione
CID 58053190
(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(6-methylfuro[3,2-c]pyridin-2-yl)imidazolidine-2,4-dione
CID 58053362
(5S)-5-(4,6-dimethylfuro[3,2-c]pyridin-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione
CID 58053823

Frequently Asked Questions

What is the IUPAC name of [2-[[(4R)-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-[[(4R)-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 160682409) is [2-[[(4R)-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-[[(4R)-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-[[(4R)-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)N[C@](CN2Cc3ccc(OS(=O)(=O)C(F)(F)F)cc3C2=O)(c2cc3ncccc3o2)C1=O.
What is the InChIKey of [2-[[(4R)-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-RUZDIDTESA-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)/t25-/m1/s1.
What are the key properties of [2-[[(4R)-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-[[(4R)-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-[[(4R)-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 160682409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).