3-[6-[5-[4-(difluoromethoxy)phenyl]-1-(trideuteriomethyl)pyrazol-4-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

C24H20F2N4O4 — CID 171075932

IUPAC3-[6-[5-[4-(difluoromethoxy)phenyl]-1-(trideuteriomethyl)pyrazol-4-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
SMILES[2H]C([2H])([2H])n1ncc(-c2ccc3c(c2)CN(C2CCC(=O)NC2=O)C3=O)c1-c1ccc(OC(F)F)cc1
InChIInChI=1S/C24H20F2N4O4/c1-29-21(13-2-5-16(6-3-13)34-24(25)26)18(11-27-29)14-4-7-17-15(10-14)12-30(23(17)33)19-8-9-20(31)28-22(19)32/h2-7,10-11,19,24H,8-9,12H2,1H3,(H,28,31,32)/i1D3
InChIKeySHLVKKOTALYMMS-FIBGUPNXSA-N
MW469.46 g/mol
LogP3.12
Rot. Bonds6

About 3-[6-[5-[4-(difluoromethoxy)phenyl]-1-(trideuteriomethyl)pyrazol-4-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

3-[6-[5-[4-(difluoromethoxy)phenyl]-1-(trideuteriomethyl)pyrazol-4-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (PubChem CID 171075932) has the molecular formula C24H20F2N4O4 and a molecular weight of 469.46 g/mol. Its IUPAC name is 3-[6-[5-[4-(difluoromethoxy)phenyl]-1-(trideuteriomethyl)pyrazol-4-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[6-[5-[4-(difluoromethoxy)phenyl]-1-(trideuteriomethyl)pyrazol-4-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
PubChem CID171075932
Molecular FormulaC24H20F2N4O4
Molecular Weight469.46 g/mol
Exact Mass469.16
IUPAC Name3-[6-[5-[4-(difluoromethoxy)phenyl]-1-(trideuteriomethyl)pyrazol-4-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
SMILES[2H]C([2H])([2H])n1ncc(-c2ccc3c(c2)CN(C2CCC(=O)NC2=O)C3=O)c1-c1ccc(OC(F)F)cc1
InChIInChI=1S/C24H20F2N4O4/c1-29-21(13-2-5-16(6-3-13)34-24(25)26)18(11-27-29)14-4-7-17-15(10-14)12-30(23(17)33)19-8-9-20(31)28-22(19)32/h2-7,10-11,19,24H,8-9,12H2,1H3,(H,28,31,32)/i1D3
InChIKeySHLVKKOTALYMMS-FIBGUPNXSA-N
XLogP3.12
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.46
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-[6-[5-[4-(difluoromethoxy)phenyl]-1-(trideuteriomethyl)pyrazol-4-yl]-3-oxo-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

Related Compounds

3-[6-[5-[4-(difluoromethyl)phenyl]-1-methylpyrazol-4-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 171577590
3-[6-[1-methyl-5-(4-methylphenyl)pyrazol-4-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 171075676
3-[6-(5-cyclopropyl-1-methylpyrazol-4-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 171075201
3-[6-(5-cyclopentyl-1-methylpyrazol-4-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 171075153
3-[6-[5-(2,4-difluorophenyl)-1-methylpyrazol-4-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 171074995
(3S)-3-[6-[5-(6-amino-3-pyridinyl)-1-methylpyrazol-4-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 171577719
3-[6-[5-(5-amino-3-pyridinyl)-1-methylpyrazol-4-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 171075603
4-[4-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-1-methylpyrazol-5-yl]-N,N-dimethylbenzamide
CID 171075823
(3S)-3-[6-[5-(1-tert-butylpyrazol-4-yl)-1-methylpyrazol-4-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 171577422
3-[6-[5-[4-fluoro-3-(trifluoromethyl)phenyl]-1-methylpyrazol-4-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 171577710
3-[6-[5-(2,2-difluoro-1,3-benzodioxol-5-yl)-1-methylpyrazol-4-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 171075977
3-[6-[1-methyl-5-(2-phenylphenyl)pyrazol-4-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 171075683

Frequently Asked Questions

What is the IUPAC name of 3-[6-[5-[4-(difluoromethoxy)phenyl]-1-(trideuteriomethyl)pyrazol-4-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The IUPAC name of 3-[6-[5-[4-(difluoromethoxy)phenyl]-1-(trideuteriomethyl)pyrazol-4-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (CID 171075932) is 3-[6-[5-[4-(difluoromethoxy)phenyl]-1-(trideuteriomethyl)pyrazol-4-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.
What is the SMILES notation for 3-[6-[5-[4-(difluoromethoxy)phenyl]-1-(trideuteriomethyl)pyrazol-4-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The canonical SMILES for 3-[6-[5-[4-(difluoromethoxy)phenyl]-1-(trideuteriomethyl)pyrazol-4-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is [2H]C([2H])([2H])n1ncc(-c2ccc3c(c2)CN(C2CCC(=O)NC2=O)C3=O)c1-c1ccc(OC(F)F)cc1.
What is the InChIKey of 3-[6-[5-[4-(difluoromethoxy)phenyl]-1-(trideuteriomethyl)pyrazol-4-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The InChIKey is SHLVKKOTALYMMS-FIBGUPNXSA-N. The full InChI is InChI=1S/C24H20F2N4O4/c1-29-21(13-2-5-16(6-3-13)34-24(25)26)18(11-27-29)14-4-7-17-15(10-14)12-30(23(17)33)19-8-9-20(31)28-22(19)32/h2-7,10-11,19,24H,8-9,12H2,1H3,(H,28,31,32)/i1D3.
What are the key properties of 3-[6-[5-[4-(difluoromethoxy)phenyl]-1-(trideuteriomethyl)pyrazol-4-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
3-[6-[5-[4-(difluoromethoxy)phenyl]-1-(trideuteriomethyl)pyrazol-4-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione has a molecular weight of 469.46 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[5-[4-(difluoromethoxy)phenyl]-1-(trideuteriomethyl)pyrazol-4-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is sourced from PubChem (CID 171075932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).