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

C48H61N13O7 — CID 135175089

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

2-(2,6-dioxopiperidin-3-yl)-5-[2-[3-[4-[2-[2-[[6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]-1-propan-2-ylimidazo[4,5-c]pyridin-2-yl]methoxy]ethylamino]ethylamino]phenoxy]propylamino]ethylamino]isoindole-1,3-dione (PubChem CID 135175089) has the molecular formula C48H61N13O7 and a molecular weight of 932.10 g/mol. Its IUPAC name is 2-(2,6-dioxopiperidin-3-yl)-5-[2-[3-[4-[2-[2-[[6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]-1-propan-2-ylimidazo[4,5-c]pyridin-2-yl]methoxy]ethylamino]ethylamino]phenoxy]propylamino]ethylamino]isoindole-1,3-dione.

Molecular Properties

• Compound Name: 2-(2,6-dioxopiperidin-3-yl)-5-[2-[3-[4-[2-[2-[[6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]-1-propan-2-ylimidazo[4,5-c]pyridin-2-yl]methoxy]ethylamino]ethylamino]phenoxy]propylamino]ethylamino]isoindole-1,3-dione
• PubChem CID: 135175089
• Molecular Formula: C48H61N13O7
• Molecular Weight: 932.10 g/mol
• Exact Mass: 931.48
• IUPAC Name: 2-(2,6-dioxopiperidin-3-yl)-5-[2-[3-[4-[2-[2-[[6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]-1-propan-2-ylimidazo[4,5-c]pyridin-2-yl]methoxy]ethylamino]ethylamino]phenoxy]propylamino]ethylamino]isoindole-1,3-dione
• SMILES: COC1CCN(c2nccc(Nc3cc4c(cn3)nc(COCCNCCNc3ccc(OCCCNCCNc5ccc6c(c5)C(=O)N(C5CCC(=O)NC5=O)C6=O)cc3)n4C(C)C)n2)CC1
• InChI: InChI=1S/C48H61N13O7/c1-31(2)60-40-28-42(56-41-13-17-53-48(57-41)59-23-14-34(66-3)15-24-59)54-29-38(40)55-43(60)30-67-26-22-50-19-20-51-32-5-8-35(9-6-32)68-25-4-16-49-18-21-52-33-7-10-36-37(27-33)47(65)61(46(36)64)39-11-12-44(62)58-45(39)63/h5-10,13,17,27-29,31,34,39,49-52H,4,11-12,14-16,18-26,30H2,1-3H3,(H,58,62,63)(H,53,54,56,57)
• InChIKey: DDWJNLDYWSDLEL-UHFFFAOYSA-N
• XLogP: 4.25
• TPSA: 231.12 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 18
• Rotatable Bonds: 24
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	932.10
LogP ≤ 5	4.25
H-Bond Donors ≤ 5	6
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-[2-[3-[4-[2-[2-[[6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]-1-propan-2-ylimidazo[4,5-c]pyridin-2-yl]methoxy]ethylamino]ethylamino]phenoxy]propylamino]ethylamino]isoindole-1,3-dione?

The IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-5-[2-[3-[4-[2-[2-[[6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]-1-propan-2-ylimidazo[4,5-c]pyridin-2-yl]methoxy]ethylamino]ethylamino]phenoxy]propylamino]ethylamino]isoindole-1,3-dione (CID 135175089) is 2-(2,6-dioxopiperidin-3-yl)-5-[2-[3-[4-[2-[2-[[6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]-1-propan-2-ylimidazo[4,5-c]pyridin-2-yl]methoxy]ethylamino]ethylamino]phenoxy]propylamino]ethylamino]isoindole-1,3-dione.

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

The canonical SMILES for 2-(2,6-dioxopiperidin-3-yl)-5-[2-[3-[4-[2-[2-[[6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]-1-propan-2-ylimidazo[4,5-c]pyridin-2-yl]methoxy]ethylamino]ethylamino]phenoxy]propylamino]ethylamino]isoindole-1,3-dione is COC1CCN(c2nccc(Nc3cc4c(cn3)nc(COCCNCCNc3ccc(OCCCNCCNc5ccc6c(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-[3-[4-[2-[2-[[6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]-1-propan-2-ylimidazo[4,5-c]pyridin-2-yl]methoxy]ethylamino]ethylamino]phenoxy]propylamino]ethylamino]isoindole-1,3-dione?

The InChIKey is DDWJNLDYWSDLEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H61N13O7/c1-31(2)60-40-28-42(56-41-13-17-53-48(57-41)59-23-14-34(66-3)15-24-59)54-29-38(40)55-43(60)30-67-26-22-50-19-20-51-32-5-8-35(9-6-32)68-25-4-16-49-18-21-52-33-7-10-36-37(27-33)47(65)61(46(36)64)39-11-12-44(62)58-45(39)63/h5-10,13,17,27-29,31,34,39,49-52H,4,11-12,14-16,18-26,30H2,1-3H3,(H,58,62,63)(H,53,54,56,57).

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

2-(2,6-dioxopiperidin-3-yl)-5-[2-[3-[4-[2-[2-[[6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]-1-propan-2-ylimidazo[4,5-c]pyridin-2-yl]methoxy]ethylamino]ethylamino]phenoxy]propylamino]ethylamino]isoindole-1,3-dione has a molecular weight of 932.10 g/mol, XLogP of 4.25, 24 rotatable bonds, 6 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,6-dioxopiperidin-3-yl)-5-[2-[3-[4-[2-[2-[[6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]-1-propan-2-ylimidazo[4,5-c]pyridin-2-yl]methoxy]ethylamino]ethylamino]phenoxy]propylamino]ethylamino]isoindole-1,3-dione is sourced from PubChem (CID 135175089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).