4-[2-[5-[3-(2,4-dihydroxy-5-propan-2-ylphenyl)-5-oxo-1H-1,2,4-triazol-4-yl]indol-1-yl]ethyl]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]piperidine-1-carboxamide

C40H42N8O7 — CID 136501560

IUPAC4-[2-[5-[3-(2,4-dihydroxy-5-propan-2-ylphenyl)-5-oxo-1H-1,2,4-triazol-4-yl]indol-1-yl]ethyl]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]piperidine-1-carboxamide
SMILESCC(C)c1cc(-c2n[nH]c(=O)n2-c2ccc3c(ccn3CCC3CCN(C(=O)Nc4cccc5c4CN(C4CCC(=O)NC4=O)C5=O)CC3)c2)c(O)cc1O
InChIInChI=1S/C40H42N8O7/c1-22(2)27-19-28(34(50)20-33(27)49)36-43-44-40(55)48(36)25-6-7-31-24(18-25)13-17-45(31)14-10-23-11-15-46(16-12-23)39(54)41-30-5-3-4-26-29(30)21-47(38(26)53)32-8-9-35(51)42-37(32)52/h3-7,13,17-20,22-23,32,49-50H,8-12,14-16,21H2,1-2H3,(H,41,54)(H,44,55)(H,42,51,52)
InChIKeyFZTLRDXQCPKXJI-UHFFFAOYSA-N
MW746.83 g/mol
LogP4.81
Rot. Bonds8

About 4-[2-[5-[3-(2,4-dihydroxy-5-propan-2-ylphenyl)-5-oxo-1H-1,2,4-triazol-4-yl]indol-1-yl]ethyl]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]piperidine-1-carboxamide

4-[2-[5-[3-(2,4-dihydroxy-5-propan-2-ylphenyl)-5-oxo-1H-1,2,4-triazol-4-yl]indol-1-yl]ethyl]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]piperidine-1-carboxamide (PubChem CID 136501560) has the molecular formula C40H42N8O7 and a molecular weight of 746.83 g/mol. Its IUPAC name is 4-[2-[5-[3-(2,4-dihydroxy-5-propan-2-ylphenyl)-5-oxo-1H-1,2,4-triazol-4-yl]indol-1-yl]ethyl]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-[2-[5-[3-(2,4-dihydroxy-5-propan-2-ylphenyl)-5-oxo-1H-1,2,4-triazol-4-yl]indol-1-yl]ethyl]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]piperidine-1-carboxamide
PubChem CID136501560
Molecular FormulaC40H42N8O7
Molecular Weight746.83 g/mol
Exact Mass746.32
IUPAC Name4-[2-[5-[3-(2,4-dihydroxy-5-propan-2-ylphenyl)-5-oxo-1H-1,2,4-triazol-4-yl]indol-1-yl]ethyl]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]piperidine-1-carboxamide
SMILESCC(C)c1cc(-c2n[nH]c(=O)n2-c2ccc3c(ccn3CCC3CCN(C(=O)Nc4cccc5c4CN(C4CCC(=O)NC4=O)C5=O)CC3)c2)c(O)cc1O
InChIInChI=1S/C40H42N8O7/c1-22(2)27-19-28(34(50)20-33(27)49)36-43-44-40(55)48(36)25-6-7-31-24(18-25)13-17-45(31)14-10-23-11-15-46(16-12-23)39(54)41-30-5-3-4-26-29(30)21-47(38(26)53)32-8-9-35(51)42-37(32)52/h3-7,13,17-20,22-23,32,49-50H,8-12,14-16,21H2,1-2H3,(H,41,54)(H,44,55)(H,42,51,52)
InChIKeyFZTLRDXQCPKXJI-UHFFFAOYSA-N
XLogP4.81
TPSA194.89 Ų
H-Bond Donors5
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms55
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500746.83
LogP ≤ 54.81
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 4-[2-[5-[3-(2,4-dihydroxy-5-propan-2-ylphenyl)-5-oxo-1H-1,2,4-triazol-4-yl]indol-1-yl]ethyl]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]piperidine-1-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[5-[3-(2,4-dihydroxy-5-propan-2-ylphenyl)-5-oxo-1H-1,2,4-triazol-4-yl]indol-1-yl]ethyl]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]piperidine-1-carboxamide?
The IUPAC name of 4-[2-[5-[3-(2,4-dihydroxy-5-propan-2-ylphenyl)-5-oxo-1H-1,2,4-triazol-4-yl]indol-1-yl]ethyl]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]piperidine-1-carboxamide (CID 136501560) is 4-[2-[5-[3-(2,4-dihydroxy-5-propan-2-ylphenyl)-5-oxo-1H-1,2,4-triazol-4-yl]indol-1-yl]ethyl]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]piperidine-1-carboxamide.
What is the SMILES notation for 4-[2-[5-[3-(2,4-dihydroxy-5-propan-2-ylphenyl)-5-oxo-1H-1,2,4-triazol-4-yl]indol-1-yl]ethyl]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]piperidine-1-carboxamide?
The canonical SMILES for 4-[2-[5-[3-(2,4-dihydroxy-5-propan-2-ylphenyl)-5-oxo-1H-1,2,4-triazol-4-yl]indol-1-yl]ethyl]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]piperidine-1-carboxamide is CC(C)c1cc(-c2n[nH]c(=O)n2-c2ccc3c(ccn3CCC3CCN(C(=O)Nc4cccc5c4CN(C4CCC(=O)NC4=O)C5=O)CC3)c2)c(O)cc1O.
What is the InChIKey of 4-[2-[5-[3-(2,4-dihydroxy-5-propan-2-ylphenyl)-5-oxo-1H-1,2,4-triazol-4-yl]indol-1-yl]ethyl]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]piperidine-1-carboxamide?
The InChIKey is FZTLRDXQCPKXJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H42N8O7/c1-22(2)27-19-28(34(50)20-33(27)49)36-43-44-40(55)48(36)25-6-7-31-24(18-25)13-17-45(31)14-10-23-11-15-46(16-12-23)39(54)41-30-5-3-4-26-29(30)21-47(38(26)53)32-8-9-35(51)42-37(32)52/h3-7,13,17-20,22-23,32,49-50H,8-12,14-16,21H2,1-2H3,(H,41,54)(H,44,55)(H,42,51,52).
What are the key properties of 4-[2-[5-[3-(2,4-dihydroxy-5-propan-2-ylphenyl)-5-oxo-1H-1,2,4-triazol-4-yl]indol-1-yl]ethyl]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]piperidine-1-carboxamide?
4-[2-[5-[3-(2,4-dihydroxy-5-propan-2-ylphenyl)-5-oxo-1H-1,2,4-triazol-4-yl]indol-1-yl]ethyl]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]piperidine-1-carboxamide has a molecular weight of 746.83 g/mol, XLogP of 4.81, 8 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[5-[3-(2,4-dihydroxy-5-propan-2-ylphenyl)-5-oxo-1H-1,2,4-triazol-4-yl]indol-1-yl]ethyl]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]piperidine-1-carboxamide is sourced from PubChem (CID 136501560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).