2-(2,6-dioxopiperidin-3-yl)-4-[2-[2-[2-[3-[4-[7-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-5-yl]phenyl]propoxy]ethoxy]ethoxy]ethylamino]isoindole-1,3-dione

C47H54N8O8 — CID 163269283

About 2-(2,6-dioxopiperidin-3-yl)-4-[2-[2-[2-[3-[4-[7-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-5-yl]phenyl]propoxy]ethoxy]ethoxy]ethylamino]isoindole-1,3-dione

2-(2,6-dioxopiperidin-3-yl)-4-[2-[2-[2-[3-[4-[7-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-5-yl]phenyl]propoxy]ethoxy]ethoxy]ethylamino]isoindole-1,3-dione (PubChem CID 163269283) has the molecular formula C47H54N8O8 and a molecular weight of 859.00 g/mol. Its IUPAC name is 2-(2,6-dioxopiperidin-3-yl)-4-[2-[2-[2-[3-[4-[7-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-5-yl]phenyl]propoxy]ethoxy]ethoxy]ethylamino]isoindole-1,3-dione.

Molecular Properties

• Compound Name: 2-(2,6-dioxopiperidin-3-yl)-4-[2-[2-[2-[3-[4-[7-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-5-yl]phenyl]propoxy]ethoxy]ethoxy]ethylamino]isoindole-1,3-dione
• PubChem CID: 163269283
• Molecular Formula: C47H54N8O8
• Molecular Weight: 859.00 g/mol
• Exact Mass: 858.41
• IUPAC Name: 2-(2,6-dioxopiperidin-3-yl)-4-[2-[2-[2-[3-[4-[7-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-5-yl]phenyl]propoxy]ethoxy]ethoxy]ethylamino]isoindole-1,3-dione
• SMILES: Cc1nn2c(N3CCN(CCO)CC3)cc(-c3ccc(CCCOCCOCCOCCNc4cccc5c4C(=O)N(C4CCC(=O)NC4=O)C5=O)cc3)nc2c1-c1ccccc1
• InChI: InChI=1S/C47H54N8O8/c1-32-42(35-8-3-2-4-9-35)44-49-38(31-41(55(44)51-32)53-21-19-52(20-22-53)23-24-56)34-14-12-33(13-15-34)7-6-25-61-27-29-63-30-28-62-26-18-48-37-11-5-10-36-43(37)47(60)54(46(36)59)39-16-17-40(57)50-45(39)58/h2-5,8-15,31,39,48,56H,6-7,16-30H2,1H3,(H,50,57,58)
• InChIKey: LVRJCHAMCVUBEB-UHFFFAOYSA-N
• XLogP: 3.98
• TPSA: 180.17 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 14
• Rotatable Bonds: 20
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	859.00
LogP ≤ 5	3.98
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	14

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 2-(2,6-dioxopiperidin-3-yl)-4-[2-[2-[2-[3-[4-[7-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-5-yl]phenyl]propoxy]ethoxy]ethoxy]ethylamino]isoindole-1,3-dione?

The IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-4-[2-[2-[2-[3-[4-[7-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-5-yl]phenyl]propoxy]ethoxy]ethoxy]ethylamino]isoindole-1,3-dione (CID 163269283) is 2-(2,6-dioxopiperidin-3-yl)-4-[2-[2-[2-[3-[4-[7-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-5-yl]phenyl]propoxy]ethoxy]ethoxy]ethylamino]isoindole-1,3-dione.

What is the SMILES notation for 2-(2,6-dioxopiperidin-3-yl)-4-[2-[2-[2-[3-[4-[7-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-5-yl]phenyl]propoxy]ethoxy]ethoxy]ethylamino]isoindole-1,3-dione?

The canonical SMILES for 2-(2,6-dioxopiperidin-3-yl)-4-[2-[2-[2-[3-[4-[7-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-5-yl]phenyl]propoxy]ethoxy]ethoxy]ethylamino]isoindole-1,3-dione is Cc1nn2c(N3CCN(CCO)CC3)cc(-c3ccc(CCCOCCOCCOCCNc4cccc5c4C(=O)N(C4CCC(=O)NC4=O)C5=O)cc3)nc2c1-c1ccccc1.

What is the InChIKey of 2-(2,6-dioxopiperidin-3-yl)-4-[2-[2-[2-[3-[4-[7-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-5-yl]phenyl]propoxy]ethoxy]ethoxy]ethylamino]isoindole-1,3-dione?

The InChIKey is LVRJCHAMCVUBEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H54N8O8/c1-32-42(35-8-3-2-4-9-35)44-49-38(31-41(55(44)51-32)53-21-19-52(20-22-53)23-24-56)34-14-12-33(13-15-34)7-6-25-61-27-29-63-30-28-62-26-18-48-37-11-5-10-36-43(37)47(60)54(46(36)59)39-16-17-40(57)50-45(39)58/h2-5,8-15,31,39,48,56H,6-7,16-30H2,1H3,(H,50,57,58).

What are the key properties of 2-(2,6-dioxopiperidin-3-yl)-4-[2-[2-[2-[3-[4-[7-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-5-yl]phenyl]propoxy]ethoxy]ethoxy]ethylamino]isoindole-1,3-dione?

2-(2,6-dioxopiperidin-3-yl)-4-[2-[2-[2-[3-[4-[7-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-5-yl]phenyl]propoxy]ethoxy]ethoxy]ethylamino]isoindole-1,3-dione has a molecular weight of 859.00 g/mol, XLogP of 3.98, 20 rotatable bonds, 3 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,6-dioxopiperidin-3-yl)-4-[2-[2-[2-[3-[4-[7-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-5-yl]phenyl]propoxy]ethoxy]ethoxy]ethylamino]isoindole-1,3-dione is sourced from PubChem (CID 163269283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).