5-[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]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione

C47H55ClN8O9 — CID 156905980

About 5-[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]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione

5-[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]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione (PubChem CID 156905980) has the molecular formula C47H55ClN8O9 and a molecular weight of 911.46 g/mol. Its IUPAC name is 5-[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]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione.

Molecular Properties

• Compound Name: 5-[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]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
• PubChem CID: 156905980
• Molecular Formula: C47H55ClN8O9
• Molecular Weight: 911.46 g/mol
• Exact Mass: 910.38
• IUPAC Name: 5-[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]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
• SMILES: O=C1CCC(N2C(=O)c3ccc(OCCOCCOCCOCCOCCN4CCN(Cc5ccc(C6Cc7c(NCc8ccccc8Cl)ncnc7N6)cc5)CC4)cc3C2=O)C(=O)N1
• InChI: InChI=1S/C47H55ClN8O9/c48-39-4-2-1-3-34(39)29-49-43-38-28-40(52-44(38)51-31-50-43)33-7-5-32(6-8-33)30-55-15-13-54(14-16-55)17-18-61-19-20-62-21-22-63-23-24-64-25-26-65-35-9-10-36-37(27-35)47(60)56(46(36)59)41-11-12-42(57)53-45(41)58/h1-10,27,31,40-41H,11-26,28-30H2,(H,53,57,58)(H2,49,50,51,52)
• InChIKey: YBXVFYSBCUFYFX-UHFFFAOYSA-N
• XLogP: 4.12
• TPSA: 186.02 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 15
• Rotatable Bonds: 23
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	911.46
LogP ≤ 5	4.12
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	15

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-[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]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?

The IUPAC name of 5-[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]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione (CID 156905980) is 5-[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]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione.

What is the SMILES notation for 5-[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]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?

The canonical SMILES for 5-[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]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione is O=C1CCC(N2C(=O)c3ccc(OCCOCCOCCOCCOCCN4CCN(Cc5ccc(C6Cc7c(NCc8ccccc8Cl)ncnc7N6)cc5)CC4)cc3C2=O)C(=O)N1.

What is the InChIKey of 5-[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]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?

The InChIKey is YBXVFYSBCUFYFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H55ClN8O9/c48-39-4-2-1-3-34(39)29-49-43-38-28-40(52-44(38)51-31-50-43)33-7-5-32(6-8-33)30-55-15-13-54(14-16-55)17-18-61-19-20-62-21-22-63-23-24-64-25-26-65-35-9-10-36-37(27-35)47(60)56(46(36)59)41-11-12-42(57)53-45(41)58/h1-10,27,31,40-41H,11-26,28-30H2,(H,53,57,58)(H2,49,50,51,52).

What are the key properties of 5-[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]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?

5-[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]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione has a molecular weight of 911.46 g/mol, XLogP of 4.12, 23 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[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]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione is sourced from PubChem (CID 156905980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).