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

C45H59N11O7 — CID 156905968

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

2-(2,6-dioxopiperidin-3-yl)-5-[4-[4-[2-[2-[[6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]-1-propan-2-ylimidazo[4,5-c]pyridin-2-yl]methoxy]ethoxy]ethyl]piperazin-1-yl]butyl]isoindole-1,3-dione (PubChem CID 156905968) has the molecular formula C45H59N11O7 and a molecular weight of 866.04 g/mol. Its IUPAC name is 2-(2,6-dioxopiperidin-3-yl)-5-[4-[4-[2-[2-[[6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]-1-propan-2-ylimidazo[4,5-c]pyridin-2-yl]methoxy]ethoxy]ethyl]piperazin-1-yl]butyl]isoindole-1,3-dione.

Molecular Properties

• Compound Name: 2-(2,6-dioxopiperidin-3-yl)-5-[4-[4-[2-[2-[[6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]-1-propan-2-ylimidazo[4,5-c]pyridin-2-yl]methoxy]ethoxy]ethyl]piperazin-1-yl]butyl]isoindole-1,3-dione
• PubChem CID: 156905968
• Molecular Formula: C45H59N11O7
• Molecular Weight: 866.04 g/mol
• Exact Mass: 865.46
• IUPAC Name: 2-(2,6-dioxopiperidin-3-yl)-5-[4-[4-[2-[2-[[6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]-1-propan-2-ylimidazo[4,5-c]pyridin-2-yl]methoxy]ethoxy]ethyl]piperazin-1-yl]butyl]isoindole-1,3-dione
• SMILES: COC1CCN(c2nccc(Nc3cc4c(cn3)nc(COCCOCCN3CCN(CCCCc5ccc6c(c5)C(=O)N(C5CCC(=O)NC5=O)C6=O)CC3)n4C(C)C)n2)CC1
• InChI: InChI=1S/C45H59N11O7/c1-30(2)55-37-27-39(49-38-11-14-46-45(50-38)54-16-12-32(61-3)13-17-54)47-28-35(37)48-40(55)29-63-25-24-62-23-22-53-20-18-52(19-21-53)15-5-4-6-31-7-8-33-34(26-31)44(60)56(43(33)59)36-9-10-41(57)51-42(36)58/h7-8,11,14,26-28,30,32,36H,4-6,9-10,12-13,15-25,29H2,1-3H3,(H,51,57,58)(H,46,47,49,50)
• InChIKey: BOWPZUTWPRVOLN-UHFFFAOYSA-N
• XLogP: 3.74
• TPSA: 189.48 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 16
• Rotatable Bonds: 19
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	866.04
LogP ≤ 5	3.74
H-Bond Donors ≤ 5	2
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 2-(2,6-dioxopiperidin-3-yl)-5-[4-[4-[2-[2-[[6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]-1-propan-2-ylimidazo[4,5-c]pyridin-2-yl]methoxy]ethoxy]ethyl]piperazin-1-yl]butyl]isoindole-1,3-dione?

The IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-5-[4-[4-[2-[2-[[6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]-1-propan-2-ylimidazo[4,5-c]pyridin-2-yl]methoxy]ethoxy]ethyl]piperazin-1-yl]butyl]isoindole-1,3-dione (CID 156905968) is 2-(2,6-dioxopiperidin-3-yl)-5-[4-[4-[2-[2-[[6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]-1-propan-2-ylimidazo[4,5-c]pyridin-2-yl]methoxy]ethoxy]ethyl]piperazin-1-yl]butyl]isoindole-1,3-dione.

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

The canonical SMILES for 2-(2,6-dioxopiperidin-3-yl)-5-[4-[4-[2-[2-[[6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]-1-propan-2-ylimidazo[4,5-c]pyridin-2-yl]methoxy]ethoxy]ethyl]piperazin-1-yl]butyl]isoindole-1,3-dione is COC1CCN(c2nccc(Nc3cc4c(cn3)nc(COCCOCCN3CCN(CCCCc5ccc6c(c5)C(=O)N(C5CCC(=O)NC5=O)C6=O)CC3)n4C(C)C)n2)CC1.

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

The InChIKey is BOWPZUTWPRVOLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H59N11O7/c1-30(2)55-37-27-39(49-38-11-14-46-45(50-38)54-16-12-32(61-3)13-17-54)47-28-35(37)48-40(55)29-63-25-24-62-23-22-53-20-18-52(19-21-53)15-5-4-6-31-7-8-33-34(26-31)44(60)56(43(33)59)36-9-10-41(57)51-42(36)58/h7-8,11,14,26-28,30,32,36H,4-6,9-10,12-13,15-25,29H2,1-3H3,(H,51,57,58)(H,46,47,49,50).

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

2-(2,6-dioxopiperidin-3-yl)-5-[4-[4-[2-[2-[[6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]-1-propan-2-ylimidazo[4,5-c]pyridin-2-yl]methoxy]ethoxy]ethyl]piperazin-1-yl]butyl]isoindole-1,3-dione has a molecular weight of 866.04 g/mol, XLogP of 3.74, 19 rotatable bonds, 2 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,6-dioxopiperidin-3-yl)-5-[4-[4-[2-[2-[[6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]-1-propan-2-ylimidazo[4,5-c]pyridin-2-yl]methoxy]ethoxy]ethyl]piperazin-1-yl]butyl]isoindole-1,3-dione is sourced from PubChem (CID 156905968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).