N-(5,8-dimethoxy-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)-2-[2-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-6-(trifluoromethyl)benzenesulfonamide

C37H41F3N8O13S — CID 167499408

IUPACN-(5,8-dimethoxy-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)-2-[2-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-6-(trifluoromethyl)benzenesulfonamide
SMILESCOc1cnc(OC)n2nc(NS(=O)(=O)c3c(OCCOCCOCCOCCOCCNc4cccc5c4C(=O)N(C4CCC(=O)NC4=O)C5=O)cccc3C(F)(F)F)nc12
InChIInChI=1S/C37H41F3N8O13S/c1-55-27-21-42-36(56-2)48-31(27)44-35(45-48)46-62(53,54)30-23(37(38,39)40)6-4-8-26(30)61-20-19-60-18-17-59-16-15-58-14-13-57-12-11-41-24-7-3-5-22-29(24)34(52)47(33(22)51)25-9-10-28(49)43-32(25)50/h3-8,21,25,41H,9-20H2,1-2H3,(H,45,46)(H,43,49,50)
InChIKeyCBFZCWAWSHRHBZ-UHFFFAOYSA-N
MW894.84 g/mol
LogP1.92
Rot. Bonds23

About N-(5,8-dimethoxy-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)-2-[2-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-6-(trifluoromethyl)benzenesulfonamide

N-(5,8-dimethoxy-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)-2-[2-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-6-(trifluoromethyl)benzenesulfonamide (PubChem CID 167499408) has the molecular formula C37H41F3N8O13S and a molecular weight of 894.84 g/mol. Its IUPAC name is N-(5,8-dimethoxy-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)-2-[2-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-6-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(5,8-dimethoxy-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)-2-[2-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-6-(trifluoromethyl)benzenesulfonamide
PubChem CID167499408
Molecular FormulaC37H41F3N8O13S
Molecular Weight894.84 g/mol
Exact Mass894.25
IUPAC NameN-(5,8-dimethoxy-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)-2-[2-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-6-(trifluoromethyl)benzenesulfonamide
SMILESCOc1cnc(OC)n2nc(NS(=O)(=O)c3c(OCCOCCOCCOCCOCCNc4cccc5c4C(=O)N(C4CCC(=O)NC4=O)C5=O)cccc3C(F)(F)F)nc12
InChIInChI=1S/C37H41F3N8O13S/c1-55-27-21-42-36(56-2)48-31(27)44-35(45-48)46-62(53,54)30-23(37(38,39)40)6-4-8-26(30)61-20-19-60-18-17-59-16-15-58-14-13-57-12-11-41-24-7-3-5-22-29(24)34(52)47(33(22)51)25-9-10-28(49)43-32(25)50/h3-8,21,25,41H,9-20H2,1-2H3,(H,45,46)(H,43,49,50)
InChIKeyCBFZCWAWSHRHBZ-UHFFFAOYSA-N
XLogP1.92
TPSA249.44 Ų
H-Bond Donors3
H-Bond Acceptors18
Rotatable Bonds23
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500894.84
LogP ≤ 51.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze N-(5,8-dimethoxy-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)-2-[2-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-6-(trifluoromethyl)benzenesulfonamide with MolForge

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Related Compounds

4-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 131999707
4-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethylamino]-2-[(3S)-2,6-dioxopiperidin-3-yl]isoindole-1,3-dione
CID 166681219
2-(2,6-dioxopiperidin-3-yl)-4-[2-[2-[3-[4-[3-methoxy-4-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzoyl]piperazin-1-yl]-3-oxopropoxy]ethoxy]ethylamino]isoindole-1,3-dione
CID 146552503
4-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;hydrochloride
CID 169450028
4-amino-N-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethyl]-3-methoxybenzamide
CID 156883114
N-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethyl]acetamide
CID 154003382
2-(1,3-difluoropropan-2-yloxy)-N-(5,8-dimethoxy-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)-6-(trifluoromethyl)benzenesulfonamide
CID 18366176
2-[2-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylcarbamic acid
CID 166772095
2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethylcarbamic acid
CID 146309802
4-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;2,2,2-trifluoroacetic acid
CID 138911350
2-(2,6-dioxopiperidin-3-yl)-4-[2-[2-(3-hydroxypropoxy)ethoxy]ethylamino]isoindole-1,3-dione
CID 166152544
2-(2,6-dioxopiperidin-3-yl)-4-[2-[2-(4-ethynylpyrazol-1-yl)ethoxy]ethylamino]isoindole-1,3-dione
CID 134352509

Frequently Asked Questions

What is the IUPAC name of N-(5,8-dimethoxy-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)-2-[2-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-6-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-(5,8-dimethoxy-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)-2-[2-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-6-(trifluoromethyl)benzenesulfonamide (CID 167499408) is N-(5,8-dimethoxy-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)-2-[2-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-6-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-(5,8-dimethoxy-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)-2-[2-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-6-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-(5,8-dimethoxy-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)-2-[2-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-6-(trifluoromethyl)benzenesulfonamide is COc1cnc(OC)n2nc(NS(=O)(=O)c3c(OCCOCCOCCOCCOCCNc4cccc5c4C(=O)N(C4CCC(=O)NC4=O)C5=O)cccc3C(F)(F)F)nc12.
What is the InChIKey of N-(5,8-dimethoxy-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)-2-[2-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-6-(trifluoromethyl)benzenesulfonamide?
The InChIKey is CBFZCWAWSHRHBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H41F3N8O13S/c1-55-27-21-42-36(56-2)48-31(27)44-35(45-48)46-62(53,54)30-23(37(38,39)40)6-4-8-26(30)61-20-19-60-18-17-59-16-15-58-14-13-57-12-11-41-24-7-3-5-22-29(24)34(52)47(33(22)51)25-9-10-28(49)43-32(25)50/h3-8,21,25,41H,9-20H2,1-2H3,(H,45,46)(H,43,49,50).
What are the key properties of N-(5,8-dimethoxy-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)-2-[2-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-6-(trifluoromethyl)benzenesulfonamide?
N-(5,8-dimethoxy-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)-2-[2-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-6-(trifluoromethyl)benzenesulfonamide has a molecular weight of 894.84 g/mol, XLogP of 1.92, 23 rotatable bonds, 3 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,8-dimethoxy-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)-2-[2-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-6-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 167499408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).