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

C39H47N11O6 — CID 135157112

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

2-(2,6-dioxopiperidin-3-yl)-5-[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]isoindole-1,3-dione (PubChem CID 135157112) has the molecular formula C39H47N11O6 and a molecular weight of 765.88 g/mol. Its IUPAC name is 2-(2,6-dioxopiperidin-3-yl)-5-[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]isoindole-1,3-dione.

Molecular Properties

• Compound Name: 2-(2,6-dioxopiperidin-3-yl)-5-[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]isoindole-1,3-dione
• PubChem CID: 135157112
• Molecular Formula: C39H47N11O6
• Molecular Weight: 765.88 g/mol
• Exact Mass: 765.37
• IUPAC Name: 2-(2,6-dioxopiperidin-3-yl)-5-[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]isoindole-1,3-dione
• SMILES: COC1CCN(c2nccc(Nc3cc4c(cn3)nc(COCCN3CCN(c5ccc6c(c5)C(=O)N(C5CCC(=O)NC5=O)C6=O)CC3)n4C(C)C)n2)CC1
• InChI: InChI=1S/C39H47N11O6/c1-24(2)49-31-21-33(43-32-8-11-40-39(44-32)48-12-9-26(55-3)10-13-48)41-22-29(31)42-34(49)23-56-19-18-46-14-16-47(17-15-46)25-4-5-27-28(20-25)38(54)50(37(27)53)30-6-7-35(51)45-36(30)52/h4-5,8,11,20-22,24,26,30H,6-7,9-10,12-19,23H2,1-3H3,(H,45,51,52)(H,40,41,43,44)
• InChIKey: CADMKEBIGGDKHU-UHFFFAOYSA-N
• XLogP: 2.90
• TPSA: 180.25 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 15
• Rotatable Bonds: 12
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	765.88
LogP ≤ 5	2.90
H-Bond Donors ≤ 5	2
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 2-(2,6-dioxopiperidin-3-yl)-5-[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]isoindole-1,3-dione?

The IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-5-[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]isoindole-1,3-dione (CID 135157112) is 2-(2,6-dioxopiperidin-3-yl)-5-[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]isoindole-1,3-dione.

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

The canonical SMILES for 2-(2,6-dioxopiperidin-3-yl)-5-[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]isoindole-1,3-dione is COC1CCN(c2nccc(Nc3cc4c(cn3)nc(COCCN3CCN(c5ccc6c(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-[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]isoindole-1,3-dione?

The InChIKey is CADMKEBIGGDKHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H47N11O6/c1-24(2)49-31-21-33(43-32-8-11-40-39(44-32)48-12-9-26(55-3)10-13-48)41-22-29(31)42-34(49)23-56-19-18-46-14-16-47(17-15-46)25-4-5-27-28(20-25)38(54)50(37(27)53)30-6-7-35(51)45-36(30)52/h4-5,8,11,20-22,24,26,30H,6-7,9-10,12-19,23H2,1-3H3,(H,45,51,52)(H,40,41,43,44).

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

2-(2,6-dioxopiperidin-3-yl)-5-[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]isoindole-1,3-dione has a molecular weight of 765.88 g/mol, XLogP of 2.90, 12 rotatable bonds, 2 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,6-dioxopiperidin-3-yl)-5-[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]isoindole-1,3-dione is sourced from PubChem (CID 135157112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).