2-[4-[1-[2-[2-[2-[2-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]piperidin-3-yl]phenyl]indazole-7-carboxamide

C48H61N7O12 — CID 164717184

About 2-[4-[1-[2-[2-[2-[2-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]piperidin-3-yl]phenyl]indazole-7-carboxamide

2-[4-[1-[2-[2-[2-[2-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]piperidin-3-yl]phenyl]indazole-7-carboxamide (PubChem CID 164717184) has the molecular formula C48H61N7O12 and a molecular weight of 928.05 g/mol. Its IUPAC name is 2-[4-[1-[2-[2-[2-[2-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]piperidin-3-yl]phenyl]indazole-7-carboxamide.

Molecular Properties

• Compound Name: 2-[4-[1-[2-[2-[2-[2-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]piperidin-3-yl]phenyl]indazole-7-carboxamide
• PubChem CID: 164717184
• Molecular Formula: C48H61N7O12
• Molecular Weight: 928.05 g/mol
• Exact Mass: 927.44
• IUPAC Name: 2-[4-[1-[2-[2-[2-[2-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]piperidin-3-yl]phenyl]indazole-7-carboxamide
• SMILES: NC(=O)c1cccc2cn(-c3ccc(C4CCCN(CCOCCOCCOCCOCCOCCOCCOCCNc5cccc6c5C(=O)N(C5CCC(=O)NC5=O)C6=O)C4)cc3)nc12
• InChI: InChI=1S/C48H61N7O12/c49-45(57)39-7-1-4-36-33-54(52-44(36)39)37-11-9-34(10-12-37)35-5-3-16-53(32-35)17-19-62-21-23-64-25-27-66-29-31-67-30-28-65-26-24-63-22-20-61-18-15-50-40-8-2-6-38-43(40)48(60)55(47(38)59)41-13-14-42(56)51-46(41)58/h1-2,4,6-12,33,35,41,50H,3,5,13-32H2,(H2,49,57)(H,51,56,58)
• InChIKey: SLPMKCAJABWZME-UHFFFAOYSA-N
• XLogP: 2.93
• TPSA: 224.34 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 16
• Rotatable Bonds: 29
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	928.05
LogP ≤ 5	2.93
H-Bond Donors ≤ 5	3
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-[4-[1-[2-[2-[2-[2-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]piperidin-3-yl]phenyl]indazole-7-carboxamide?

The IUPAC name of 2-[4-[1-[2-[2-[2-[2-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]piperidin-3-yl]phenyl]indazole-7-carboxamide (CID 164717184) is 2-[4-[1-[2-[2-[2-[2-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]piperidin-3-yl]phenyl]indazole-7-carboxamide.

What is the SMILES notation for 2-[4-[1-[2-[2-[2-[2-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]piperidin-3-yl]phenyl]indazole-7-carboxamide?

The canonical SMILES for 2-[4-[1-[2-[2-[2-[2-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]piperidin-3-yl]phenyl]indazole-7-carboxamide is NC(=O)c1cccc2cn(-c3ccc(C4CCCN(CCOCCOCCOCCOCCOCCOCCOCCNc5cccc6c5C(=O)N(C5CCC(=O)NC5=O)C6=O)C4)cc3)nc12.

What is the InChIKey of 2-[4-[1-[2-[2-[2-[2-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]piperidin-3-yl]phenyl]indazole-7-carboxamide?

The InChIKey is SLPMKCAJABWZME-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H61N7O12/c49-45(57)39-7-1-4-36-33-54(52-44(36)39)37-11-9-34(10-12-37)35-5-3-16-53(32-35)17-19-62-21-23-64-25-27-66-29-31-67-30-28-65-26-24-63-22-20-61-18-15-50-40-8-2-6-38-43(40)48(60)55(47(38)59)41-13-14-42(56)51-46(41)58/h1-2,4,6-12,33,35,41,50H,3,5,13-32H2,(H2,49,57)(H,51,56,58).

What are the key properties of 2-[4-[1-[2-[2-[2-[2-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]piperidin-3-yl]phenyl]indazole-7-carboxamide?

2-[4-[1-[2-[2-[2-[2-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]piperidin-3-yl]phenyl]indazole-7-carboxamide has a molecular weight of 928.05 g/mol, XLogP of 2.93, 29 rotatable bonds, 3 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[1-[2-[2-[2-[2-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]piperidin-3-yl]phenyl]indazole-7-carboxamide is sourced from PubChem (CID 164717184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).