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

C43H55N11O8 — CID 156905969

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

2-(2,6-dioxopiperidin-3-yl)-5-[2-[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]ethoxy]isoindole-1,3-dione (PubChem CID 156905969) has the molecular formula C43H55N11O8 and a molecular weight of 853.98 g/mol. Its IUPAC name is 2-(2,6-dioxopiperidin-3-yl)-5-[2-[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]ethoxy]isoindole-1,3-dione.

Molecular Properties

• Compound Name: 2-(2,6-dioxopiperidin-3-yl)-5-[2-[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]ethoxy]isoindole-1,3-dione
• PubChem CID: 156905969
• Molecular Formula: C43H55N11O8
• Molecular Weight: 853.98 g/mol
• Exact Mass: 853.42
• IUPAC Name: 2-(2,6-dioxopiperidin-3-yl)-5-[2-[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]ethoxy]isoindole-1,3-dione
• SMILES: COC1CCN(c2nccc(Nc3cc4c(cn3)nc(COCCOCCN3CCN(CCOc5ccc6c(c5)C(=O)N(C5CCC(=O)NC5=O)C6=O)CC3)n4C(C)C)n2)CC1
• InChI: InChI=1S/C43H55N11O8/c1-28(2)53-35-25-37(47-36-8-11-44-43(48-36)52-12-9-29(59-3)10-13-52)45-26-33(35)46-38(53)27-61-23-22-60-20-18-50-14-16-51(17-15-50)19-21-62-30-4-5-31-32(24-30)42(58)54(41(31)57)34-6-7-39(55)49-40(34)56/h4-5,8,11,24-26,28-29,34H,6-7,9-10,12-23,27H2,1-3H3,(H,49,55,56)(H,44,45,47,48)
• InChIKey: HTYPJRAWCGGNQW-UHFFFAOYSA-N
• XLogP: 2.79
• TPSA: 198.71 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 17
• Rotatable Bonds: 18
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	853.98
LogP ≤ 5	2.79
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	17

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-[2-[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]ethoxy]isoindole-1,3-dione?

The IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-5-[2-[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]ethoxy]isoindole-1,3-dione (CID 156905969) is 2-(2,6-dioxopiperidin-3-yl)-5-[2-[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]ethoxy]isoindole-1,3-dione.

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

The canonical SMILES for 2-(2,6-dioxopiperidin-3-yl)-5-[2-[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]ethoxy]isoindole-1,3-dione is COC1CCN(c2nccc(Nc3cc4c(cn3)nc(COCCOCCN3CCN(CCOc5ccc6c(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-[2-[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]ethoxy]isoindole-1,3-dione?

The InChIKey is HTYPJRAWCGGNQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H55N11O8/c1-28(2)53-35-25-37(47-36-8-11-44-43(48-36)52-12-9-29(59-3)10-13-52)45-26-33(35)46-38(53)27-61-23-22-60-20-18-50-14-16-51(17-15-50)19-21-62-30-4-5-31-32(24-30)42(58)54(41(31)57)34-6-7-39(55)49-40(34)56/h4-5,8,11,24-26,28-29,34H,6-7,9-10,12-23,27H2,1-3H3,(H,49,55,56)(H,44,45,47,48).

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

2-(2,6-dioxopiperidin-3-yl)-5-[2-[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]ethoxy]isoindole-1,3-dione has a molecular weight of 853.98 g/mol, XLogP of 2.79, 18 rotatable bonds, 2 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,6-dioxopiperidin-3-yl)-5-[2-[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]ethoxy]isoindole-1,3-dione is sourced from PubChem (CID 156905969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).