4-[2-[2-[2-[2-[2,3-difluoro-6-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
C34H37F2N5O9S — CID 154612212
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPAC4-[2-[2-[2-[2-[2,3-difluoro-6-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
SMILESO=C1CCC(N2C(=O)c3cccc(NCCOCCOCCOCCOc4c(-c5csc(N6CCOCC6)n5)ccc(F)c4F)c3C2=O)C(=O)N1
InChIInChI=1S/C34H37F2N5O9S/c35-23-5-4-21(25-20-51-34(38-25)40-9-12-47-13-10-40)30(29(23)36)50-19-18-49-17-16-48-15-14-46-11-8-37-24-3-1-2-22-28(24)33(45)41(32(22)44)26-6-7-27(42)39-31(26)43/h1-5,20,26,37H,6-19H2,(H,39,42,43)
InChIKeyOWIWBFWFHIILQS-UHFFFAOYSA-N
MW729.76 g/mol
LogP2.87
Rot. Bonds17
About 4-[2-[2-[2-[2-[2,3-difluoro-6-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
4-[2-[2-[2-[2-[2,3-difluoro-6-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione (PubChem CID 154612212) has the molecular formula C34H37F2N5O9S and a molecular weight of 729.76 g/mol. Its IUPAC name is 4-[2-[2-[2-[2-[2,3-difluoro-6-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione.
Molecular Properties
| Compound Name | 4-[2-[2-[2-[2-[2,3-difluoro-6-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione |
|---|---|
| PubChem CID | 154612212 |
| Molecular Formula | C34H37F2N5O9S |
| Molecular Weight | 729.76 g/mol |
| Exact Mass | 729.23 |
| IUPAC Name | 4-[2-[2-[2-[2-[2,3-difluoro-6-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione |
| SMILES | O=C1CCC(N2C(=O)c3cccc(NCCOCCOCCOCCOc4c(-c5csc(N6CCOCC6)n5)ccc(F)c4F)c3C2=O)C(=O)N1 |
| InChI | InChI=1S/C34H37F2N5O9S/c35-23-5-4-21(25-20-51-34(38-25)40-9-12-47-13-10-40)30(29(23)36)50-19-18-49-17-16-48-15-14-46-11-8-37-24-3-1-2-22-28(24)33(45)41(32(22)44)26-6-7-27(42)39-31(26)43/h1-5,20,26,37H,6-19H2,(H,39,42,43) |
| InChIKey | OWIWBFWFHIILQS-UHFFFAOYSA-N |
| XLogP | 2.87 |
| TPSA | 157.86 Ų |
| H-Bond Donors | 2 |
| H-Bond Acceptors | 13 |
| Rotatable Bonds | 17 |
| Heavy Atoms | 51 |
| Complexity | — |
Lipinski Rule of Five
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 729.76 |
| LogP ≤ 5 | 2.87 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 13 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'} |
|---|
Frequently Asked Questions
What is the IUPAC name of 4-[2-[2-[2-[2-[2,3-difluoro-6-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?
The IUPAC name of 4-[2-[2-[2-[2-[2,3-difluoro-6-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione (CID 154612212) is 4-[2-[2-[2-[2-[2,3-difluoro-6-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione.
What is the SMILES notation for 4-[2-[2-[2-[2-[2,3-difluoro-6-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?
The canonical SMILES for 4-[2-[2-[2-[2-[2,3-difluoro-6-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione is O=C1CCC(N2C(=O)c3cccc(NCCOCCOCCOCCOc4c(-c5csc(N6CCOCC6)n5)ccc(F)c4F)c3C2=O)C(=O)N1.
What is the InChIKey of 4-[2-[2-[2-[2-[2,3-difluoro-6-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?
The InChIKey is OWIWBFWFHIILQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H37F2N5O9S/c35-23-5-4-21(25-20-51-34(38-25)40-9-12-47-13-10-40)30(29(23)36)50-19-18-49-17-16-48-15-14-46-11-8-37-24-3-1-2-22-28(24)33(45)41(32(22)44)26-6-7-27(42)39-31(26)43/h1-5,20,26,37H,6-19H2,(H,39,42,43).
What are the key properties of 4-[2-[2-[2-[2-[2,3-difluoro-6-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?
4-[2-[2-[2-[2-[2,3-difluoro-6-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione has a molecular weight of 729.76 g/mol, XLogP of 2.87, 17 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-[2-[2-[2,3-difluoro-6-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione is sourced from PubChem (CID 154612212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.
Sources
- PubChem CID 154612212 — identifiers, structure, computed properties (public domain)
How this page is built: methodology · editorial policy & corrections.
For research and educational use only — not medical advice. This page is compiled automatically from public databases. It is not written or reviewed by a clinician. Do not start, stop or change any treatment based on it; consult a qualified healthcare professional. Spotted an error? See our corrections policy or email hello@molforge.ai.