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-[1-oxo-2-(6-oxopiperidin-3-yl)-3H-isoindol-4-yl]piperidine-1-carboxamide

C40H44N8O6 — CID 137156275

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-[1-oxo-2-(6-oxopiperidin-3-yl)-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-[1-oxo-2-(6-oxopiperidin-3-yl)-3H-isoindol-4-yl]piperidine-1-carboxamide (PubChem CID 137156275) has the molecular formula C40H44N8O6 and a molecular weight of 732.84 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-[1-oxo-2-(6-oxopiperidin-3-yl)-3H-isoindol-4-yl]piperidine-1-carboxamide.

Molecular Properties

• Compound Name: 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-[1-oxo-2-(6-oxopiperidin-3-yl)-3H-isoindol-4-yl]piperidine-1-carboxamide
• PubChem CID: 137156275
• Molecular Formula: C40H44N8O6
• Molecular Weight: 732.84 g/mol
• Exact Mass: 732.34
• IUPAC Name: 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-[1-oxo-2-(6-oxopiperidin-3-yl)-3H-isoindol-4-yl]piperidine-1-carboxamide
• SMILES: CC(C)c1cc(-c2n[nH]c(=O)n2-c2ccc3c(ccn3CCC3CCN(C(=O)Nc4cccc5c4CN(C4CCC(=O)NC4)C5=O)CC3)c2)c(O)cc1O
• InChI: InChI=1S/C40H44N8O6/c1-23(2)29-19-30(35(50)20-34(29)49)37-43-44-40(54)48(37)26-6-8-33-25(18-26)13-17-45(33)14-10-24-11-15-46(16-12-24)39(53)42-32-5-3-4-28-31(32)22-47(38(28)52)27-7-9-36(51)41-21-27/h3-6,8,13,17-20,23-24,27,49-50H,7,9-12,14-16,21-22H2,1-2H3,(H,41,51)(H,42,53)(H,44,54)
• InChIKey: KGWLNNHHYZTNSJ-UHFFFAOYSA-N
• XLogP: 5.29
• TPSA: 177.82 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	732.84
LogP ≤ 5	5.29
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	9

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-[1-oxo-2-(6-oxopiperidin-3-yl)-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-[1-oxo-2-(6-oxopiperidin-3-yl)-3H-isoindol-4-yl]piperidine-1-carboxamide (CID 137156275) 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-[1-oxo-2-(6-oxopiperidin-3-yl)-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-[1-oxo-2-(6-oxopiperidin-3-yl)-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-[1-oxo-2-(6-oxopiperidin-3-yl)-3H-isoindol-4-yl]piperidine-1-carboxamide is CC(C)c1cc(-c2n[nH]c(=O)n2-c2ccc3c(ccn3CCC3CCN(C(=O)Nc4cccc5c4CN(C4CCC(=O)NC4)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-[1-oxo-2-(6-oxopiperidin-3-yl)-3H-isoindol-4-yl]piperidine-1-carboxamide?

The InChIKey is KGWLNNHHYZTNSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H44N8O6/c1-23(2)29-19-30(35(50)20-34(29)49)37-43-44-40(54)48(37)26-6-8-33-25(18-26)13-17-45(33)14-10-24-11-15-46(16-12-24)39(53)42-32-5-3-4-28-31(32)22-47(38(28)52)27-7-9-36(51)41-21-27/h3-6,8,13,17-20,23-24,27,49-50H,7,9-12,14-16,21-22H2,1-2H3,(H,41,51)(H,42,53)(H,44,54).

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-[1-oxo-2-(6-oxopiperidin-3-yl)-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-[1-oxo-2-(6-oxopiperidin-3-yl)-3H-isoindol-4-yl]piperidine-1-carboxamide has a molecular weight of 732.84 g/mol, XLogP of 5.29, 8 rotatable bonds, 5 hydrogen bond donors, and 9 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-[1-oxo-2-(6-oxopiperidin-3-yl)-3H-isoindol-4-yl]piperidine-1-carboxamide is sourced from PubChem (CID 137156275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).