5-[(Z)-[5-(3-amino-3-oxopropyl)-2-oxo-1H-indol-3-ylidene]methyl]-N-[2-[2-[[2-(2-hydroxy-6-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide

C36H39N7O8 — CID 166924527

About 5-[(Z)-[5-(3-amino-3-oxopropyl)-2-oxo-1H-indol-3-ylidene]methyl]-N-[2-[2-[[2-(2-hydroxy-6-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide

5-[(Z)-[5-(3-amino-3-oxopropyl)-2-oxo-1H-indol-3-ylidene]methyl]-N-[2-[2-[[2-(2-hydroxy-6-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide (PubChem CID 166924527) has the molecular formula C36H39N7O8 and a molecular weight of 697.75 g/mol. Its IUPAC name is 5-[(Z)-[5-(3-amino-3-oxopropyl)-2-oxo-1H-indol-3-ylidene]methyl]-N-[2-[2-[[2-(2-hydroxy-6-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide.

Molecular Properties

• Compound Name: 5-[(Z)-[5-(3-amino-3-oxopropyl)-2-oxo-1H-indol-3-ylidene]methyl]-N-[2-[2-[[2-(2-hydroxy-6-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide
• PubChem CID: 166924527
• Molecular Formula: C36H39N7O8
• Molecular Weight: 697.75 g/mol
• Exact Mass: 697.29
• IUPAC Name: 5-[(Z)-[5-(3-amino-3-oxopropyl)-2-oxo-1H-indol-3-ylidene]methyl]-N-[2-[2-[[2-(2-hydroxy-6-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide
• SMILES: Cc1[nH]c(/C=C2\C(=O)Nc3ccc(CCC(N)=O)cc32)c(C)c1C(=O)NCCOCCNc1cccc2c1C(=O)N(C1CCC(=O)NC1O)C2=O
• InChI: InChI=1S/C36H39N7O8/c1-18-26(17-23-22-16-20(7-10-28(37)44)6-8-24(22)41-32(23)46)40-19(2)30(18)34(48)39-13-15-51-14-12-38-25-5-3-4-21-31(25)36(50)43(35(21)49)27-9-11-29(45)42-33(27)47/h3-6,8,16-17,27,33,38,40,47H,7,9-15H2,1-2H3,(H2,37,44)(H,39,48)(H,41,46)(H,42,45)/b23-17-
• InChIKey: GULMSODZSADUJS-QJOMJCCJSA-N
• XLogP: 1.59
• TPSA: 225.05 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 9
• Rotatable Bonds: 13
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	697.75
LogP ≤ 5	1.59
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-[(Z)-[5-(3-amino-3-oxopropyl)-2-oxo-1H-indol-3-ylidene]methyl]-N-[2-[2-[[2-(2-hydroxy-6-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide?

The IUPAC name of 5-[(Z)-[5-(3-amino-3-oxopropyl)-2-oxo-1H-indol-3-ylidene]methyl]-N-[2-[2-[[2-(2-hydroxy-6-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide (CID 166924527) is 5-[(Z)-[5-(3-amino-3-oxopropyl)-2-oxo-1H-indol-3-ylidene]methyl]-N-[2-[2-[[2-(2-hydroxy-6-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide.

What is the SMILES notation for 5-[(Z)-[5-(3-amino-3-oxopropyl)-2-oxo-1H-indol-3-ylidene]methyl]-N-[2-[2-[[2-(2-hydroxy-6-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide?

The canonical SMILES for 5-[(Z)-[5-(3-amino-3-oxopropyl)-2-oxo-1H-indol-3-ylidene]methyl]-N-[2-[2-[[2-(2-hydroxy-6-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide is Cc1[nH]c(/C=C2\C(=O)Nc3ccc(CCC(N)=O)cc32)c(C)c1C(=O)NCCOCCNc1cccc2c1C(=O)N(C1CCC(=O)NC1O)C2=O.

What is the InChIKey of 5-[(Z)-[5-(3-amino-3-oxopropyl)-2-oxo-1H-indol-3-ylidene]methyl]-N-[2-[2-[[2-(2-hydroxy-6-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide?

The InChIKey is GULMSODZSADUJS-QJOMJCCJSA-N. The full InChI is InChI=1S/C36H39N7O8/c1-18-26(17-23-22-16-20(7-10-28(37)44)6-8-24(22)41-32(23)46)40-19(2)30(18)34(48)39-13-15-51-14-12-38-25-5-3-4-21-31(25)36(50)43(35(21)49)27-9-11-29(45)42-33(27)47/h3-6,8,16-17,27,33,38,40,47H,7,9-15H2,1-2H3,(H2,37,44)(H,39,48)(H,41,46)(H,42,45)/b23-17-.

What are the key properties of 5-[(Z)-[5-(3-amino-3-oxopropyl)-2-oxo-1H-indol-3-ylidene]methyl]-N-[2-[2-[[2-(2-hydroxy-6-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide?

5-[(Z)-[5-(3-amino-3-oxopropyl)-2-oxo-1H-indol-3-ylidene]methyl]-N-[2-[2-[[2-(2-hydroxy-6-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide has a molecular weight of 697.75 g/mol, XLogP of 1.59, 13 rotatable bonds, 7 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(Z)-[5-(3-amino-3-oxopropyl)-2-oxo-1H-indol-3-ylidene]methyl]-N-[2-[2-[[2-(2-hydroxy-6-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 166924527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).