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

C44H47F2N7O12 — CID 154659269

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

5-[(3S)-3-[(3,5-difluorophenyl)methylcarbamoyl]-3-hydroxy-2-oxopyrrolidin-1-yl]-N-[2-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-1H-indole-2-carboxamide (PubChem CID 154659269) has the molecular formula C44H47F2N7O12 and a molecular weight of 903.89 g/mol. Its IUPAC name is 5-[(3S)-3-[(3,5-difluorophenyl)methylcarbamoyl]-3-hydroxy-2-oxopyrrolidin-1-yl]-N-[2-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-1H-indole-2-carboxamide.

Molecular Properties

• Compound Name: 5-[(3S)-3-[(3,5-difluorophenyl)methylcarbamoyl]-3-hydroxy-2-oxopyrrolidin-1-yl]-N-[2-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-1H-indole-2-carboxamide
• PubChem CID: 154659269
• Molecular Formula: C44H47F2N7O12
• Molecular Weight: 903.89 g/mol
• Exact Mass: 903.33
• IUPAC Name: 5-[(3S)-3-[(3,5-difluorophenyl)methylcarbamoyl]-3-hydroxy-2-oxopyrrolidin-1-yl]-N-[2-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-1H-indole-2-carboxamide
• SMILES: O=C1CCC(N2C(=O)c3cccc(NCCOCCOCCOCCOCCNC(=O)c4cc5cc(N6CC[C@](O)(C(=O)NCc7cc(F)cc(F)c7)C6=O)ccc5[nH]4)c3C2=O)C(=O)N1
• InChI: InChI=1S/C44H47F2N7O12/c45-28-20-26(21-29(46)24-28)25-49-42(59)44(61)8-11-52(43(44)60)30-4-5-32-27(22-30)23-34(50-32)38(55)48-10-13-63-15-17-65-19-18-64-16-14-62-12-9-47-33-3-1-2-31-37(33)41(58)53(40(31)57)35-6-7-36(54)51-39(35)56/h1-5,20-24,35,47,50,61H,6-19,25H2,(H,48,55)(H,49,59)(H,51,54,56)/t35?,44-/m0/s1
• InChIKey: PDZRCTKTOAIERV-RNOSVXDJSA-N
• XLogP: 1.54
• TPSA: 247.03 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 13
• Rotatable Bonds: 22
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	903.89
LogP ≤ 5	1.54
H-Bond Donors ≤ 5	6
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-[(3S)-3-[(3,5-difluorophenyl)methylcarbamoyl]-3-hydroxy-2-oxopyrrolidin-1-yl]-N-[2-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-1H-indole-2-carboxamide?

The IUPAC name of 5-[(3S)-3-[(3,5-difluorophenyl)methylcarbamoyl]-3-hydroxy-2-oxopyrrolidin-1-yl]-N-[2-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-1H-indole-2-carboxamide (CID 154659269) is 5-[(3S)-3-[(3,5-difluorophenyl)methylcarbamoyl]-3-hydroxy-2-oxopyrrolidin-1-yl]-N-[2-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-1H-indole-2-carboxamide.

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

The canonical SMILES for 5-[(3S)-3-[(3,5-difluorophenyl)methylcarbamoyl]-3-hydroxy-2-oxopyrrolidin-1-yl]-N-[2-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-1H-indole-2-carboxamide is O=C1CCC(N2C(=O)c3cccc(NCCOCCOCCOCCOCCNC(=O)c4cc5cc(N6CC[C@](O)(C(=O)NCc7cc(F)cc(F)c7)C6=O)ccc5[nH]4)c3C2=O)C(=O)N1.

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

The InChIKey is PDZRCTKTOAIERV-RNOSVXDJSA-N. The full InChI is InChI=1S/C44H47F2N7O12/c45-28-20-26(21-29(46)24-28)25-49-42(59)44(61)8-11-52(43(44)60)30-4-5-32-27(22-30)23-34(50-32)38(55)48-10-13-63-15-17-65-19-18-64-16-14-62-12-9-47-33-3-1-2-31-37(33)41(58)53(40(31)57)35-6-7-36(54)51-39(35)56/h1-5,20-24,35,47,50,61H,6-19,25H2,(H,48,55)(H,49,59)(H,51,54,56)/t35?,44-/m0/s1.

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

5-[(3S)-3-[(3,5-difluorophenyl)methylcarbamoyl]-3-hydroxy-2-oxopyrrolidin-1-yl]-N-[2-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-1H-indole-2-carboxamide has a molecular weight of 903.89 g/mol, XLogP of 1.54, 22 rotatable bonds, 6 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(3S)-3-[(3,5-difluorophenyl)methylcarbamoyl]-3-hydroxy-2-oxopyrrolidin-1-yl]-N-[2-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 154659269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).