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

C47H52F2N6O14 — CID 154659243

IUPAC5-[3-[(3,5-difluorophenyl)methylcarbamoyl]-3-hydroxy-2-oxopyrrolidin-1-yl]-N-[2-[2-[2-[2-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-N-methyl-1H-indole-2-carboxamide
SMILESCN(CCOCCOCCOCCOCCOCCOc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O)C(=O)c1cc2cc(N3CCC(O)(C(=O)NCc4cc(F)cc(F)c4)C3=O)ccc2[nH]1
InChIInChI=1S/C47H52F2N6O14/c1-53(43(59)36-26-30-25-33(5-6-35(30)51-36)54-10-9-47(63,46(54)62)45(61)50-28-29-23-31(48)27-32(49)24-29)11-12-64-13-14-65-15-16-66-17-18-67-19-20-68-21-22-69-38-4-2-3-34-40(38)44(60)55(42(34)58)37-7-8-39(56)52-41(37)57/h2-6,23-27,37,51,63H,7-22,28H2,1H3,(H,50,61)(H,52,56,57)
InChIKeyNDRFWUREMIACGW-UHFFFAOYSA-N
MW962.96 g/mol
LogP1.87
Rot. Bonds25

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

5-[3-[(3,5-difluorophenyl)methylcarbamoyl]-3-hydroxy-2-oxopyrrolidin-1-yl]-N-[2-[2-[2-[2-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-N-methyl-1H-indole-2-carboxamide (PubChem CID 154659243) has the molecular formula C47H52F2N6O14 and a molecular weight of 962.96 g/mol. Its IUPAC name is 5-[3-[(3,5-difluorophenyl)methylcarbamoyl]-3-hydroxy-2-oxopyrrolidin-1-yl]-N-[2-[2-[2-[2-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-N-methyl-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-[3-[(3,5-difluorophenyl)methylcarbamoyl]-3-hydroxy-2-oxopyrrolidin-1-yl]-N-[2-[2-[2-[2-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-N-methyl-1H-indole-2-carboxamide
PubChem CID154659243
Molecular FormulaC47H52F2N6O14
Molecular Weight962.96 g/mol
Exact Mass962.35
IUPAC Name5-[3-[(3,5-difluorophenyl)methylcarbamoyl]-3-hydroxy-2-oxopyrrolidin-1-yl]-N-[2-[2-[2-[2-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-N-methyl-1H-indole-2-carboxamide
SMILESCN(CCOCCOCCOCCOCCOCCOc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O)C(=O)c1cc2cc(N3CCC(O)(C(=O)NCc4cc(F)cc(F)c4)C3=O)ccc2[nH]1
InChIInChI=1S/C47H52F2N6O14/c1-53(43(59)36-26-30-25-33(5-6-35(30)51-36)54-10-9-47(63,46(54)62)45(61)50-28-29-23-31(48)27-32(49)24-29)11-12-64-13-14-65-15-16-66-17-18-67-19-20-68-21-22-69-38-4-2-3-34-40(38)44(60)55(42(34)58)37-7-8-39(56)52-41(37)57/h2-6,23-27,37,51,63H,7-22,28H2,1H3,(H,50,61)(H,52,56,57)
InChIKeyNDRFWUREMIACGW-UHFFFAOYSA-N
XLogP1.87
TPSA244.67 Ų
H-Bond Donors4
H-Bond Acceptors14
Rotatable Bonds25
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500962.96
LogP ≤ 51.87
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1014

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'}

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Frequently Asked Questions

What is the IUPAC name of 5-[3-[(3,5-difluorophenyl)methylcarbamoyl]-3-hydroxy-2-oxopyrrolidin-1-yl]-N-[2-[2-[2-[2-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-N-methyl-1H-indole-2-carboxamide?
The IUPAC name of 5-[3-[(3,5-difluorophenyl)methylcarbamoyl]-3-hydroxy-2-oxopyrrolidin-1-yl]-N-[2-[2-[2-[2-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-N-methyl-1H-indole-2-carboxamide (CID 154659243) is 5-[3-[(3,5-difluorophenyl)methylcarbamoyl]-3-hydroxy-2-oxopyrrolidin-1-yl]-N-[2-[2-[2-[2-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-N-methyl-1H-indole-2-carboxamide.
What is the SMILES notation for 5-[3-[(3,5-difluorophenyl)methylcarbamoyl]-3-hydroxy-2-oxopyrrolidin-1-yl]-N-[2-[2-[2-[2-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-N-methyl-1H-indole-2-carboxamide?
The canonical SMILES for 5-[3-[(3,5-difluorophenyl)methylcarbamoyl]-3-hydroxy-2-oxopyrrolidin-1-yl]-N-[2-[2-[2-[2-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-N-methyl-1H-indole-2-carboxamide is CN(CCOCCOCCOCCOCCOCCOc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O)C(=O)c1cc2cc(N3CCC(O)(C(=O)NCc4cc(F)cc(F)c4)C3=O)ccc2[nH]1.
What is the InChIKey of 5-[3-[(3,5-difluorophenyl)methylcarbamoyl]-3-hydroxy-2-oxopyrrolidin-1-yl]-N-[2-[2-[2-[2-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-N-methyl-1H-indole-2-carboxamide?
The InChIKey is NDRFWUREMIACGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H52F2N6O14/c1-53(43(59)36-26-30-25-33(5-6-35(30)51-36)54-10-9-47(63,46(54)62)45(61)50-28-29-23-31(48)27-32(49)24-29)11-12-64-13-14-65-15-16-66-17-18-67-19-20-68-21-22-69-38-4-2-3-34-40(38)44(60)55(42(34)58)37-7-8-39(56)52-41(37)57/h2-6,23-27,37,51,63H,7-22,28H2,1H3,(H,50,61)(H,52,56,57).
What are the key properties of 5-[3-[(3,5-difluorophenyl)methylcarbamoyl]-3-hydroxy-2-oxopyrrolidin-1-yl]-N-[2-[2-[2-[2-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-N-methyl-1H-indole-2-carboxamide?
5-[3-[(3,5-difluorophenyl)methylcarbamoyl]-3-hydroxy-2-oxopyrrolidin-1-yl]-N-[2-[2-[2-[2-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-N-methyl-1H-indole-2-carboxamide has a molecular weight of 962.96 g/mol, XLogP of 1.87, 25 rotatable bonds, 4 hydrogen bond donors, and 14 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-[2-[2-[2-[2-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-N-methyl-1H-indole-2-carboxamide is sourced from PubChem (CID 154659243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).