5-[3-[(3,5-difluorophenyl)methylcarbamoyl]-3-hydroxy-2-oxopyrrolidin-1-yl]-N-[5-[2-[2-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethoxy]ethoxy]ethoxy]ethoxy]pentyl]-1H-indole-2-carboxamide

C47H52F2N6O13 — CID 154659318

About 5-[3-[(3,5-difluorophenyl)methylcarbamoyl]-3-hydroxy-2-oxopyrrolidin-1-yl]-N-[5-[2-[2-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethoxy]ethoxy]ethoxy]ethoxy]pentyl]-1H-indole-2-carboxamide

5-[3-[(3,5-difluorophenyl)methylcarbamoyl]-3-hydroxy-2-oxopyrrolidin-1-yl]-N-[5-[2-[2-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethoxy]ethoxy]ethoxy]ethoxy]pentyl]-1H-indole-2-carboxamide (PubChem CID 154659318) has the molecular formula C47H52F2N6O13 and a molecular weight of 946.96 g/mol. Its IUPAC name is 5-[3-[(3,5-difluorophenyl)methylcarbamoyl]-3-hydroxy-2-oxopyrrolidin-1-yl]-N-[5-[2-[2-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethoxy]ethoxy]ethoxy]ethoxy]pentyl]-1H-indole-2-carboxamide.

Molecular Properties

• Compound Name: 5-[3-[(3,5-difluorophenyl)methylcarbamoyl]-3-hydroxy-2-oxopyrrolidin-1-yl]-N-[5-[2-[2-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethoxy]ethoxy]ethoxy]ethoxy]pentyl]-1H-indole-2-carboxamide
• PubChem CID: 154659318
• Molecular Formula: C47H52F2N6O13
• Molecular Weight: 946.96 g/mol
• Exact Mass: 946.36
• IUPAC Name: 5-[3-[(3,5-difluorophenyl)methylcarbamoyl]-3-hydroxy-2-oxopyrrolidin-1-yl]-N-[5-[2-[2-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethoxy]ethoxy]ethoxy]ethoxy]pentyl]-1H-indole-2-carboxamide
• SMILES: O=C1CCC(N2C(=O)c3cccc(OCCOCCOCCOCCOCCCCCNC(=O)c4cc5cc(N6CCC(O)(C(=O)NCc7cc(F)cc(F)c7)C6=O)ccc5[nH]4)c3C2=O)C(=O)N1
• InChI: InChI=1S/C47H52F2N6O13/c48-31-23-29(24-32(49)27-31)28-51-45(61)47(63)11-13-54(46(47)62)33-7-8-35-30(25-33)26-36(52-35)41(57)50-12-2-1-3-14-64-15-16-65-17-18-66-19-20-67-21-22-68-38-6-4-5-34-40(38)44(60)55(43(34)59)37-9-10-39(56)53-42(37)58/h4-8,23-27,37,52,63H,1-3,9-22,28H2,(H,50,57)(H,51,61)(H,53,56,58)
• InChIKey: NLCPUALPBDPZJY-UHFFFAOYSA-N
• XLogP: 2.68
• TPSA: 244.23 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 13
• Rotatable Bonds: 25
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	946.96
LogP ≤ 5	2.68
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-[3-[(3,5-difluorophenyl)methylcarbamoyl]-3-hydroxy-2-oxopyrrolidin-1-yl]-N-[5-[2-[2-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethoxy]ethoxy]ethoxy]ethoxy]pentyl]-1H-indole-2-carboxamide?

The IUPAC name of 5-[3-[(3,5-difluorophenyl)methylcarbamoyl]-3-hydroxy-2-oxopyrrolidin-1-yl]-N-[5-[2-[2-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethoxy]ethoxy]ethoxy]ethoxy]pentyl]-1H-indole-2-carboxamide (CID 154659318) is 5-[3-[(3,5-difluorophenyl)methylcarbamoyl]-3-hydroxy-2-oxopyrrolidin-1-yl]-N-[5-[2-[2-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethoxy]ethoxy]ethoxy]ethoxy]pentyl]-1H-indole-2-carboxamide.

What is the SMILES notation for 5-[3-[(3,5-difluorophenyl)methylcarbamoyl]-3-hydroxy-2-oxopyrrolidin-1-yl]-N-[5-[2-[2-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethoxy]ethoxy]ethoxy]ethoxy]pentyl]-1H-indole-2-carboxamide?

The canonical SMILES for 5-[3-[(3,5-difluorophenyl)methylcarbamoyl]-3-hydroxy-2-oxopyrrolidin-1-yl]-N-[5-[2-[2-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethoxy]ethoxy]ethoxy]ethoxy]pentyl]-1H-indole-2-carboxamide is O=C1CCC(N2C(=O)c3cccc(OCCOCCOCCOCCOCCCCCNC(=O)c4cc5cc(N6CCC(O)(C(=O)NCc7cc(F)cc(F)c7)C6=O)ccc5[nH]4)c3C2=O)C(=O)N1.

What is the InChIKey of 5-[3-[(3,5-difluorophenyl)methylcarbamoyl]-3-hydroxy-2-oxopyrrolidin-1-yl]-N-[5-[2-[2-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethoxy]ethoxy]ethoxy]ethoxy]pentyl]-1H-indole-2-carboxamide?

The InChIKey is NLCPUALPBDPZJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H52F2N6O13/c48-31-23-29(24-32(49)27-31)28-51-45(61)47(63)11-13-54(46(47)62)33-7-8-35-30(25-33)26-36(52-35)41(57)50-12-2-1-3-14-64-15-16-65-17-18-66-19-20-67-21-22-68-38-6-4-5-34-40(38)44(60)55(43(34)59)37-9-10-39(56)53-42(37)58/h4-8,23-27,37,52,63H,1-3,9-22,28H2,(H,50,57)(H,51,61)(H,53,56,58).

What are the key properties of 5-[3-[(3,5-difluorophenyl)methylcarbamoyl]-3-hydroxy-2-oxopyrrolidin-1-yl]-N-[5-[2-[2-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethoxy]ethoxy]ethoxy]ethoxy]pentyl]-1H-indole-2-carboxamide?

5-[3-[(3,5-difluorophenyl)methylcarbamoyl]-3-hydroxy-2-oxopyrrolidin-1-yl]-N-[5-[2-[2-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethoxy]ethoxy]ethoxy]ethoxy]pentyl]-1H-indole-2-carboxamide has a molecular weight of 946.96 g/mol, XLogP of 2.68, 25 rotatable bonds, 5 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[3-[(3,5-difluorophenyl)methylcarbamoyl]-3-hydroxy-2-oxopyrrolidin-1-yl]-N-[5-[2-[2-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethoxy]ethoxy]ethoxy]ethoxy]pentyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 154659318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).