5-[2-[2-[2-[2-[2-[2-[4-[[4-[4-[(2-chlorophenyl)methylamino]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-6-yl]phenyl]methyl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione

C₄₉H₅₉ClN₈O₁₀ — CID 156905981

About 5-[2-[2-[2-[2-[2-[2-[4-[[4-[4-[(2-chlorophenyl)methylamino]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-6-yl]phenyl]methyl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione

5-[2-[2-[2-[2-[2-[2-[4-[[4-[4-[(2-chlorophenyl)methylamino]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-6-yl]phenyl]methyl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione (PubChem CID 156905981) has the molecular formula C₄₉H₅₉ClN₈O₁₀ and a molecular weight of 955.51 g/mol. Its IUPAC name is 5-[2-[2-[2-[2-[2-[2-[4-[[4-[4-[(2-chlorophenyl)methylamino]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-6-yl]phenyl]methyl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione.

Molecular Properties

• Compound Name: 5-[2-[2-[2-[2-[2-[2-[4-[[4-[4-[(2-chlorophenyl)methylamino]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-6-yl]phenyl]methyl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
• PubChem CID: 156905981
• Molecular Formula: C₄₉H₅₉ClN₈O₁₀
• Molecular Weight: 955.51 g/mol
• Exact Mass: 954.40
• IUPAC Name: 5-[2-[2-[2-[2-[2-[2-[4-[[4-[4-[(2-chlorophenyl)methylamino]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-6-yl]phenyl]methyl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
• SMILES: O=C1CCC(N2C(=O)c3ccc(OCCOCCOCCOCCOCCOCCN4CCN(Cc5ccc(C6Cc7c(NCc8ccccc8Cl)ncnc7N6)cc5)CC4)cc3C2=O)C(=O)N1
• InChI: InChI=1S/C49H59ClN8O10/c50-41-4-2-1-3-36(41)31-51-45-40-30-42(54-46(40)53-33-52-45)35-7-5-34(6-8-35)32-57-15-13-56(14-16-57)17-18-63-19-20-64-21-22-65-23-24-66-25-26-67-27-28-68-37-9-10-38-39(29-37)49(62)58(48(38)61)43-11-12-44(59)55-47(43)60/h1-10,29,33,42-43H,11-28,30-32H2,(H,55,59,60)(H2,51,52,53,54)
• InChIKey: MHYNTJPJAYVBDS-UHFFFAOYSA-N
• XLogP: 4.13
• TPSA: 195.25 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 16
• Rotatable Bonds: 26
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	955.51
LogP ≤ 5	4.13
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	16

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 5-[2-[2-[2-[2-[2-[2-[4-[[4-[4-[(2-chlorophenyl)methylamino]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-6-yl]phenyl]methyl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?

The IUPAC name of 5-[2-[2-[2-[2-[2-[2-[4-[[4-[4-[(2-chlorophenyl)methylamino]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-6-yl]phenyl]methyl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione (CID 156905981) is 5-[2-[2-[2-[2-[2-[2-[4-[[4-[4-[(2-chlorophenyl)methylamino]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-6-yl]phenyl]methyl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione.

What is the SMILES notation for 5-[2-[2-[2-[2-[2-[2-[4-[[4-[4-[(2-chlorophenyl)methylamino]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-6-yl]phenyl]methyl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?

The canonical SMILES for 5-[2-[2-[2-[2-[2-[2-[4-[[4-[4-[(2-chlorophenyl)methylamino]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-6-yl]phenyl]methyl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione is O=C1CCC(N2C(=O)c3ccc(OCCOCCOCCOCCOCCOCCN4CCN(Cc5ccc(C6Cc7c(NCc8ccccc8Cl)ncnc7N6)cc5)CC4)cc3C2=O)C(=O)N1.

What is the InChIKey of 5-[2-[2-[2-[2-[2-[2-[4-[[4-[4-[(2-chlorophenyl)methylamino]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-6-yl]phenyl]methyl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?

The InChIKey is MHYNTJPJAYVBDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H59ClN8O10/c50-41-4-2-1-3-36(41)31-51-45-40-30-42(54-46(40)53-33-52-45)35-7-5-34(6-8-35)32-57-15-13-56(14-16-57)17-18-63-19-20-64-21-22-65-23-24-66-25-26-67-27-28-68-37-9-10-38-39(29-37)49(62)58(48(38)61)43-11-12-44(59)55-47(43)60/h1-10,29,33,42-43H,11-28,30-32H2,(H,55,59,60)(H2,51,52,53,54).

What are the key properties of 5-[2-[2-[2-[2-[2-[2-[4-[[4-[4-[(2-chlorophenyl)methylamino]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-6-yl]phenyl]methyl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?

5-[2-[2-[2-[2-[2-[2-[4-[[4-[4-[(2-chlorophenyl)methylamino]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-6-yl]phenyl]methyl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione has a molecular weight of 955.51 g/mol, XLogP of 4.13, 26 rotatable bonds, 3 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-[2-[2-[2-[2-[2-[4-[[4-[4-[(2-chlorophenyl)methylamino]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-6-yl]phenyl]methyl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione is sourced from PubChem (CID 156905981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 156905981 — identifiers, structure, computed properties (public domain)

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