4-[2-[2-[2-[5-[2-[4-chloro-3-(trifluoromethyl)phenyl]-3-hydroxy-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenoxy]pentoxy]ethoxy]ethoxy]ethoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione

C42H41ClF6N4O10 — CID 155398862

About 4-[2-[2-[2-[5-[2-[4-chloro-3-(trifluoromethyl)phenyl]-3-hydroxy-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenoxy]pentoxy]ethoxy]ethoxy]ethoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione

4-[2-[2-[2-[5-[2-[4-chloro-3-(trifluoromethyl)phenyl]-3-hydroxy-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenoxy]pentoxy]ethoxy]ethoxy]ethoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione (PubChem CID 155398862) has the molecular formula C42H41ClF6N4O10 and a molecular weight of 911.25 g/mol. Its IUPAC name is 4-[2-[2-[2-[5-[2-[4-chloro-3-(trifluoromethyl)phenyl]-3-hydroxy-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenoxy]pentoxy]ethoxy]ethoxy]ethoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione.

Molecular Properties

• Compound Name: 4-[2-[2-[2-[5-[2-[4-chloro-3-(trifluoromethyl)phenyl]-3-hydroxy-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenoxy]pentoxy]ethoxy]ethoxy]ethoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
• PubChem CID: 155398862
• Molecular Formula: C42H41ClF6N4O10
• Molecular Weight: 911.25 g/mol
• Exact Mass: 910.24
• IUPAC Name: 4-[2-[2-[2-[5-[2-[4-chloro-3-(trifluoromethyl)phenyl]-3-hydroxy-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenoxy]pentoxy]ethoxy]ethoxy]ethoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
• SMILES: Cn1nc(C(F)(F)F)cc1-c1ccc(OCCCCCOCCOCCOCCOc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)c(-c2ccc(Cl)c(C(F)(F)F)c2)c1O
• InChI: InChI=1S/C42H41ClF6N4O10/c1-52-30(23-33(51-52)42(47,48)49)25-9-12-32(35(37(25)55)24-8-10-28(43)27(22-24)41(44,45)46)62-15-4-2-3-14-59-16-17-60-18-19-61-20-21-63-31-7-5-6-26-36(31)40(58)53(39(26)57)29-11-13-34(54)50-38(29)56/h5-10,12,22-23,29,55H,2-4,11,13-21H2,1H3,(H,50,54,56)
• InChIKey: CIIVNRYYQOPGRG-UHFFFAOYSA-N
• XLogP: 7.23
• TPSA: 167.75 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 12
• Rotatable Bonds: 20
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	911.25
LogP ≤ 5	7.23
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	12

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-[5-[2-[4-chloro-3-(trifluoromethyl)phenyl]-3-hydroxy-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenoxy]pentoxy]ethoxy]ethoxy]ethoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?

The IUPAC name of 4-[2-[2-[2-[5-[2-[4-chloro-3-(trifluoromethyl)phenyl]-3-hydroxy-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenoxy]pentoxy]ethoxy]ethoxy]ethoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione (CID 155398862) is 4-[2-[2-[2-[5-[2-[4-chloro-3-(trifluoromethyl)phenyl]-3-hydroxy-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenoxy]pentoxy]ethoxy]ethoxy]ethoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione.

What is the SMILES notation for 4-[2-[2-[2-[5-[2-[4-chloro-3-(trifluoromethyl)phenyl]-3-hydroxy-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenoxy]pentoxy]ethoxy]ethoxy]ethoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?

The canonical SMILES for 4-[2-[2-[2-[5-[2-[4-chloro-3-(trifluoromethyl)phenyl]-3-hydroxy-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenoxy]pentoxy]ethoxy]ethoxy]ethoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione is Cn1nc(C(F)(F)F)cc1-c1ccc(OCCCCCOCCOCCOCCOc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)c(-c2ccc(Cl)c(C(F)(F)F)c2)c1O.

What is the InChIKey of 4-[2-[2-[2-[5-[2-[4-chloro-3-(trifluoromethyl)phenyl]-3-hydroxy-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenoxy]pentoxy]ethoxy]ethoxy]ethoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?

The InChIKey is CIIVNRYYQOPGRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H41ClF6N4O10/c1-52-30(23-33(51-52)42(47,48)49)25-9-12-32(35(37(25)55)24-8-10-28(43)27(22-24)41(44,45)46)62-15-4-2-3-14-59-16-17-60-18-19-61-20-21-63-31-7-5-6-26-36(31)40(58)53(39(26)57)29-11-13-34(54)50-38(29)56/h5-10,12,22-23,29,55H,2-4,11,13-21H2,1H3,(H,50,54,56).

What are the key properties of 4-[2-[2-[2-[5-[2-[4-chloro-3-(trifluoromethyl)phenyl]-3-hydroxy-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenoxy]pentoxy]ethoxy]ethoxy]ethoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?

4-[2-[2-[2-[5-[2-[4-chloro-3-(trifluoromethyl)phenyl]-3-hydroxy-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenoxy]pentoxy]ethoxy]ethoxy]ethoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione has a molecular weight of 911.25 g/mol, XLogP of 7.23, 20 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-[2-[2-[5-[2-[4-chloro-3-(trifluoromethyl)phenyl]-3-hydroxy-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenoxy]pentoxy]ethoxy]ethoxy]ethoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione is sourced from PubChem (CID 155398862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).