3-[3-oxo-7-[2-[1-[4-(trifluoromethoxy)phenyl]triazol-4-yl]ethoxy]-1H-isoindol-2-yl]piperidine-2,6-dione

C24H20F3N5O5 — CID 146666435

IUPAC3-[3-oxo-7-[2-[1-[4-(trifluoromethoxy)phenyl]triazol-4-yl]ethoxy]-1H-isoindol-2-yl]piperidine-2,6-dione
SMILESO=C1CCC(N2Cc3c(OCCc4cn(-c5ccc(OC(F)(F)F)cc5)nn4)cccc3C2=O)C(=O)N1
InChIInChI=1S/C24H20F3N5O5/c25-24(26,27)37-16-6-4-15(5-7-16)32-12-14(29-30-32)10-11-36-20-3-1-2-17-18(20)13-31(23(17)35)19-8-9-21(33)28-22(19)34/h1-7,12,19H,8-11,13H2,(H,28,33,34)
InChIKeyKZYHXYJUGIXNRV-UHFFFAOYSA-N
MW515.45 g/mol
LogP2.55
Rot. Bonds7

About 3-[3-oxo-7-[2-[1-[4-(trifluoromethoxy)phenyl]triazol-4-yl]ethoxy]-1H-isoindol-2-yl]piperidine-2,6-dione

3-[3-oxo-7-[2-[1-[4-(trifluoromethoxy)phenyl]triazol-4-yl]ethoxy]-1H-isoindol-2-yl]piperidine-2,6-dione (PubChem CID 146666435) has the molecular formula C24H20F3N5O5 and a molecular weight of 515.45 g/mol. Its IUPAC name is 3-[3-oxo-7-[2-[1-[4-(trifluoromethoxy)phenyl]triazol-4-yl]ethoxy]-1H-isoindol-2-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[3-oxo-7-[2-[1-[4-(trifluoromethoxy)phenyl]triazol-4-yl]ethoxy]-1H-isoindol-2-yl]piperidine-2,6-dione
PubChem CID146666435
Molecular FormulaC24H20F3N5O5
Molecular Weight515.45 g/mol
Exact Mass515.14
IUPAC Name3-[3-oxo-7-[2-[1-[4-(trifluoromethoxy)phenyl]triazol-4-yl]ethoxy]-1H-isoindol-2-yl]piperidine-2,6-dione
SMILESO=C1CCC(N2Cc3c(OCCc4cn(-c5ccc(OC(F)(F)F)cc5)nn4)cccc3C2=O)C(=O)N1
InChIInChI=1S/C24H20F3N5O5/c25-24(26,27)37-16-6-4-15(5-7-16)32-12-14(29-30-32)10-11-36-20-3-1-2-17-18(20)13-31(23(17)35)19-8-9-21(33)28-22(19)34/h1-7,12,19H,8-11,13H2,(H,28,33,34)
InChIKeyKZYHXYJUGIXNRV-UHFFFAOYSA-N
XLogP2.55
TPSA115.65 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500515.45
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 3-[3-oxo-7-[2-[1-[4-(trifluoromethoxy)phenyl]triazol-4-yl]ethoxy]-1H-isoindol-2-yl]piperidine-2,6-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[3-oxo-7-[2-[1-[4-(trifluoromethoxy)phenyl]triazol-4-yl]ethoxy]-1H-isoindol-2-yl]piperidine-2,6-dione?
The IUPAC name of 3-[3-oxo-7-[2-[1-[4-(trifluoromethoxy)phenyl]triazol-4-yl]ethoxy]-1H-isoindol-2-yl]piperidine-2,6-dione (CID 146666435) is 3-[3-oxo-7-[2-[1-[4-(trifluoromethoxy)phenyl]triazol-4-yl]ethoxy]-1H-isoindol-2-yl]piperidine-2,6-dione.
What is the SMILES notation for 3-[3-oxo-7-[2-[1-[4-(trifluoromethoxy)phenyl]triazol-4-yl]ethoxy]-1H-isoindol-2-yl]piperidine-2,6-dione?
The canonical SMILES for 3-[3-oxo-7-[2-[1-[4-(trifluoromethoxy)phenyl]triazol-4-yl]ethoxy]-1H-isoindol-2-yl]piperidine-2,6-dione is O=C1CCC(N2Cc3c(OCCc4cn(-c5ccc(OC(F)(F)F)cc5)nn4)cccc3C2=O)C(=O)N1.
What is the InChIKey of 3-[3-oxo-7-[2-[1-[4-(trifluoromethoxy)phenyl]triazol-4-yl]ethoxy]-1H-isoindol-2-yl]piperidine-2,6-dione?
The InChIKey is KZYHXYJUGIXNRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F3N5O5/c25-24(26,27)37-16-6-4-15(5-7-16)32-12-14(29-30-32)10-11-36-20-3-1-2-17-18(20)13-31(23(17)35)19-8-9-21(33)28-22(19)34/h1-7,12,19H,8-11,13H2,(H,28,33,34).
What are the key properties of 3-[3-oxo-7-[2-[1-[4-(trifluoromethoxy)phenyl]triazol-4-yl]ethoxy]-1H-isoindol-2-yl]piperidine-2,6-dione?
3-[3-oxo-7-[2-[1-[4-(trifluoromethoxy)phenyl]triazol-4-yl]ethoxy]-1H-isoindol-2-yl]piperidine-2,6-dione has a molecular weight of 515.45 g/mol, XLogP of 2.55, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-oxo-7-[2-[1-[4-(trifluoromethoxy)phenyl]triazol-4-yl]ethoxy]-1H-isoindol-2-yl]piperidine-2,6-dione is sourced from PubChem (CID 146666435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).