2-(2,6-dioxopiperidin-3-yl)-5-[4-[3-[4-[4-[2-[[6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]-1-propan-2-ylimidazo[4,5-c]pyridin-2-yl]methoxy]ethyl]piperazin-1-yl]phenoxy]propyl]piperazin-1-yl]isoindole-1,3-dione

C52H65N13O7 — CID 135205142

About 2-(2,6-dioxopiperidin-3-yl)-5-[4-[3-[4-[4-[2-[[6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]-1-propan-2-ylimidazo[4,5-c]pyridin-2-yl]methoxy]ethyl]piperazin-1-yl]phenoxy]propyl]piperazin-1-yl]isoindole-1,3-dione

2-(2,6-dioxopiperidin-3-yl)-5-[4-[3-[4-[4-[2-[[6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]-1-propan-2-ylimidazo[4,5-c]pyridin-2-yl]methoxy]ethyl]piperazin-1-yl]phenoxy]propyl]piperazin-1-yl]isoindole-1,3-dione (PubChem CID 135205142) has the molecular formula C52H65N13O7 and a molecular weight of 984.18 g/mol. Its IUPAC name is 2-(2,6-dioxopiperidin-3-yl)-5-[4-[3-[4-[4-[2-[[6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]-1-propan-2-ylimidazo[4,5-c]pyridin-2-yl]methoxy]ethyl]piperazin-1-yl]phenoxy]propyl]piperazin-1-yl]isoindole-1,3-dione.

Molecular Properties

• Compound Name: 2-(2,6-dioxopiperidin-3-yl)-5-[4-[3-[4-[4-[2-[[6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]-1-propan-2-ylimidazo[4,5-c]pyridin-2-yl]methoxy]ethyl]piperazin-1-yl]phenoxy]propyl]piperazin-1-yl]isoindole-1,3-dione
• PubChem CID: 135205142
• Molecular Formula: C52H65N13O7
• Molecular Weight: 984.18 g/mol
• Exact Mass: 983.51
• IUPAC Name: 2-(2,6-dioxopiperidin-3-yl)-5-[4-[3-[4-[4-[2-[[6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]-1-propan-2-ylimidazo[4,5-c]pyridin-2-yl]methoxy]ethyl]piperazin-1-yl]phenoxy]propyl]piperazin-1-yl]isoindole-1,3-dione
• SMILES: COC1CCN(c2nccc(Nc3cc4c(cn3)nc(COCCN3CCN(c5ccc(OCCCN6CCN(c7ccc8c(c7)C(=O)N(C7CCC(=O)NC7=O)C8=O)CC6)cc5)CC3)n4C(C)C)n2)CC1
• InChI: InChI=1S/C52H65N13O7/c1-35(2)64-44-32-46(56-45-13-16-53-52(57-45)63-18-14-38(70-3)15-19-63)54-33-42(44)55-47(64)34-71-30-28-60-22-24-61(25-23-60)36-5-8-39(9-6-36)72-29-4-17-59-20-26-62(27-21-59)37-7-10-40-41(31-37)51(69)65(50(40)68)43-11-12-48(66)58-49(43)67/h5-10,13,16,31-33,35,38,43H,4,11-12,14-15,17-30,34H2,1-3H3,(H,58,66,67)(H,53,54,56,57)
• InChIKey: UHBXEPDZAVCQFT-UHFFFAOYSA-N
• XLogP: 4.49
• TPSA: 195.96 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 18
• Rotatable Bonds: 18
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	984.18
LogP ≤ 5	4.49
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'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)-5-[4-[3-[4-[4-[2-[[6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]-1-propan-2-ylimidazo[4,5-c]pyridin-2-yl]methoxy]ethyl]piperazin-1-yl]phenoxy]propyl]piperazin-1-yl]isoindole-1,3-dione?

The IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-5-[4-[3-[4-[4-[2-[[6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]-1-propan-2-ylimidazo[4,5-c]pyridin-2-yl]methoxy]ethyl]piperazin-1-yl]phenoxy]propyl]piperazin-1-yl]isoindole-1,3-dione (CID 135205142) is 2-(2,6-dioxopiperidin-3-yl)-5-[4-[3-[4-[4-[2-[[6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]-1-propan-2-ylimidazo[4,5-c]pyridin-2-yl]methoxy]ethyl]piperazin-1-yl]phenoxy]propyl]piperazin-1-yl]isoindole-1,3-dione.

What is the SMILES notation for 2-(2,6-dioxopiperidin-3-yl)-5-[4-[3-[4-[4-[2-[[6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]-1-propan-2-ylimidazo[4,5-c]pyridin-2-yl]methoxy]ethyl]piperazin-1-yl]phenoxy]propyl]piperazin-1-yl]isoindole-1,3-dione?

The canonical SMILES for 2-(2,6-dioxopiperidin-3-yl)-5-[4-[3-[4-[4-[2-[[6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]-1-propan-2-ylimidazo[4,5-c]pyridin-2-yl]methoxy]ethyl]piperazin-1-yl]phenoxy]propyl]piperazin-1-yl]isoindole-1,3-dione is COC1CCN(c2nccc(Nc3cc4c(cn3)nc(COCCN3CCN(c5ccc(OCCCN6CCN(c7ccc8c(c7)C(=O)N(C7CCC(=O)NC7=O)C8=O)CC6)cc5)CC3)n4C(C)C)n2)CC1.

What is the InChIKey of 2-(2,6-dioxopiperidin-3-yl)-5-[4-[3-[4-[4-[2-[[6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]-1-propan-2-ylimidazo[4,5-c]pyridin-2-yl]methoxy]ethyl]piperazin-1-yl]phenoxy]propyl]piperazin-1-yl]isoindole-1,3-dione?

The InChIKey is UHBXEPDZAVCQFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H65N13O7/c1-35(2)64-44-32-46(56-45-13-16-53-52(57-45)63-18-14-38(70-3)15-19-63)54-33-42(44)55-47(64)34-71-30-28-60-22-24-61(25-23-60)36-5-8-39(9-6-36)72-29-4-17-59-20-26-62(27-21-59)37-7-10-40-41(31-37)51(69)65(50(40)68)43-11-12-48(66)58-49(43)67/h5-10,13,16,31-33,35,38,43H,4,11-12,14-15,17-30,34H2,1-3H3,(H,58,66,67)(H,53,54,56,57).

What are the key properties of 2-(2,6-dioxopiperidin-3-yl)-5-[4-[3-[4-[4-[2-[[6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]-1-propan-2-ylimidazo[4,5-c]pyridin-2-yl]methoxy]ethyl]piperazin-1-yl]phenoxy]propyl]piperazin-1-yl]isoindole-1,3-dione?

2-(2,6-dioxopiperidin-3-yl)-5-[4-[3-[4-[4-[2-[[6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]-1-propan-2-ylimidazo[4,5-c]pyridin-2-yl]methoxy]ethyl]piperazin-1-yl]phenoxy]propyl]piperazin-1-yl]isoindole-1,3-dione has a molecular weight of 984.18 g/mol, XLogP of 4.49, 18 rotatable bonds, 2 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,6-dioxopiperidin-3-yl)-5-[4-[3-[4-[4-[2-[[6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]-1-propan-2-ylimidazo[4,5-c]pyridin-2-yl]methoxy]ethyl]piperazin-1-yl]phenoxy]propyl]piperazin-1-yl]isoindole-1,3-dione is sourced from PubChem (CID 135205142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).