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

C24H20F3N5O4 — CID 146666424

IUPAC3-[3-oxo-7-[[1-[[3-(trifluoromethyl)phenyl]methyl]triazol-4-yl]methoxy]-1H-isoindol-2-yl]piperidine-2,6-dione
SMILESO=C1CCC(N2Cc3c(OCc4cn(Cc5cccc(C(F)(F)F)c5)nn4)cccc3C2=O)C(=O)N1
InChIInChI=1S/C24H20F3N5O4/c25-24(26,27)15-4-1-3-14(9-15)10-31-11-16(29-30-31)13-36-20-6-2-5-17-18(20)12-32(23(17)35)19-7-8-21(33)28-22(19)34/h1-6,9,11,19H,7-8,10,12-13H2,(H,28,33,34)
InChIKeyYGRDEOIPEHNHIM-UHFFFAOYSA-N
MW499.45 g/mol
LogP2.69
Rot. Bonds6

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

3-[3-oxo-7-[[1-[[3-(trifluoromethyl)phenyl]methyl]triazol-4-yl]methoxy]-1H-isoindol-2-yl]piperidine-2,6-dione (PubChem CID 146666424) has the molecular formula C24H20F3N5O4 and a molecular weight of 499.45 g/mol. Its IUPAC name is 3-[3-oxo-7-[[1-[[3-(trifluoromethyl)phenyl]methyl]triazol-4-yl]methoxy]-1H-isoindol-2-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[3-oxo-7-[[1-[[3-(trifluoromethyl)phenyl]methyl]triazol-4-yl]methoxy]-1H-isoindol-2-yl]piperidine-2,6-dione
PubChem CID146666424
Molecular FormulaC24H20F3N5O4
Molecular Weight499.45 g/mol
Exact Mass499.15
IUPAC Name3-[3-oxo-7-[[1-[[3-(trifluoromethyl)phenyl]methyl]triazol-4-yl]methoxy]-1H-isoindol-2-yl]piperidine-2,6-dione
SMILESO=C1CCC(N2Cc3c(OCc4cn(Cc5cccc(C(F)(F)F)c5)nn4)cccc3C2=O)C(=O)N1
InChIInChI=1S/C24H20F3N5O4/c25-24(26,27)15-4-1-3-14(9-15)10-31-11-16(29-30-31)13-36-20-6-2-5-17-18(20)12-32(23(17)35)19-7-8-21(33)28-22(19)34/h1-6,9,11,19H,7-8,10,12-13H2,(H,28,33,34)
InChIKeyYGRDEOIPEHNHIM-UHFFFAOYSA-N
XLogP2.69
TPSA106.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.45
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 3-[3-oxo-7-[[1-[[3-(trifluoromethyl)phenyl]methyl]triazol-4-yl]methoxy]-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-[[1-[[3-(trifluoromethyl)phenyl]methyl]triazol-4-yl]methoxy]-1H-isoindol-2-yl]piperidine-2,6-dione?
The IUPAC name of 3-[3-oxo-7-[[1-[[3-(trifluoromethyl)phenyl]methyl]triazol-4-yl]methoxy]-1H-isoindol-2-yl]piperidine-2,6-dione (CID 146666424) is 3-[3-oxo-7-[[1-[[3-(trifluoromethyl)phenyl]methyl]triazol-4-yl]methoxy]-1H-isoindol-2-yl]piperidine-2,6-dione.
What is the SMILES notation for 3-[3-oxo-7-[[1-[[3-(trifluoromethyl)phenyl]methyl]triazol-4-yl]methoxy]-1H-isoindol-2-yl]piperidine-2,6-dione?
The canonical SMILES for 3-[3-oxo-7-[[1-[[3-(trifluoromethyl)phenyl]methyl]triazol-4-yl]methoxy]-1H-isoindol-2-yl]piperidine-2,6-dione is O=C1CCC(N2Cc3c(OCc4cn(Cc5cccc(C(F)(F)F)c5)nn4)cccc3C2=O)C(=O)N1.
What is the InChIKey of 3-[3-oxo-7-[[1-[[3-(trifluoromethyl)phenyl]methyl]triazol-4-yl]methoxy]-1H-isoindol-2-yl]piperidine-2,6-dione?
The InChIKey is YGRDEOIPEHNHIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F3N5O4/c25-24(26,27)15-4-1-3-14(9-15)10-31-11-16(29-30-31)13-36-20-6-2-5-17-18(20)12-32(23(17)35)19-7-8-21(33)28-22(19)34/h1-6,9,11,19H,7-8,10,12-13H2,(H,28,33,34).
What are the key properties of 3-[3-oxo-7-[[1-[[3-(trifluoromethyl)phenyl]methyl]triazol-4-yl]methoxy]-1H-isoindol-2-yl]piperidine-2,6-dione?
3-[3-oxo-7-[[1-[[3-(trifluoromethyl)phenyl]methyl]triazol-4-yl]methoxy]-1H-isoindol-2-yl]piperidine-2,6-dione has a molecular weight of 499.45 g/mol, XLogP of 2.69, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-oxo-7-[[1-[[3-(trifluoromethyl)phenyl]methyl]triazol-4-yl]methoxy]-1H-isoindol-2-yl]piperidine-2,6-dione is sourced from PubChem (CID 146666424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).