3-tert-butyl-N-[[4-[5-[4-[4-[1-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]piperidin-4-yl]piperazin-1-yl]phenyl]-1H-indazol-3-yl]-2-methylphenyl]methyl]-1,2,4-oxadiazole-5-carboxamide

C51H56N10O5 — CID 168872162

About 3-tert-butyl-N-[[4-[5-[4-[4-[1-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]piperidin-4-yl]piperazin-1-yl]phenyl]-1H-indazol-3-yl]-2-methylphenyl]methyl]-1,2,4-oxadiazole-5-carboxamide

3-tert-butyl-N-[[4-[5-[4-[4-[1-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]piperidin-4-yl]piperazin-1-yl]phenyl]-1H-indazol-3-yl]-2-methylphenyl]methyl]-1,2,4-oxadiazole-5-carboxamide (PubChem CID 168872162) has the molecular formula C51H56N10O5 and a molecular weight of 889.07 g/mol. Its IUPAC name is 3-tert-butyl-N-[[4-[5-[4-[4-[1-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]piperidin-4-yl]piperazin-1-yl]phenyl]-1H-indazol-3-yl]-2-methylphenyl]methyl]-1,2,4-oxadiazole-5-carboxamide.

Molecular Properties

• Compound Name: 3-tert-butyl-N-[[4-[5-[4-[4-[1-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]piperidin-4-yl]piperazin-1-yl]phenyl]-1H-indazol-3-yl]-2-methylphenyl]methyl]-1,2,4-oxadiazole-5-carboxamide
• PubChem CID: 168872162
• Molecular Formula: C51H56N10O5
• Molecular Weight: 889.07 g/mol
• Exact Mass: 888.44
• IUPAC Name: 3-tert-butyl-N-[[4-[5-[4-[4-[1-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]piperidin-4-yl]piperazin-1-yl]phenyl]-1H-indazol-3-yl]-2-methylphenyl]methyl]-1,2,4-oxadiazole-5-carboxamide
• SMILES: Cc1cc(-c2n[nH]c3ccc(-c4ccc(N5CCN(C6CCN(Cc7ccc8c(c7)CN(C7CCC(=O)NC7=O)C8=O)CC6)CC5)cc4)cc23)ccc1CNC(=O)c1nc(C(C)(C)C)no1
• InChI: InChI=1S/C51H56N10O5/c1-31-25-35(6-7-36(31)28-52-47(64)48-54-50(57-66-48)51(2,3)4)45-41-27-34(10-14-42(41)55-56-45)33-8-11-38(12-9-33)59-21-23-60(24-22-59)39-17-19-58(20-18-39)29-32-5-13-40-37(26-32)30-61(49(40)65)43-15-16-44(62)53-46(43)63/h5-14,25-27,39,43H,15-24,28-30H2,1-4H3,(H,52,64)(H,55,56)(H,53,62,63)
• InChIKey: LQXOZXLHWONQPL-UHFFFAOYSA-N
• XLogP: 6.36
• TPSA: 172.90 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 11
• Rotatable Bonds: 10
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	889.07
LogP ≤ 5	6.36
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-N-[[4-[5-[4-[4-[1-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]piperidin-4-yl]piperazin-1-yl]phenyl]-1H-indazol-3-yl]-2-methylphenyl]methyl]-1,2,4-oxadiazole-5-carboxamide?

The IUPAC name of 3-tert-butyl-N-[[4-[5-[4-[4-[1-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]piperidin-4-yl]piperazin-1-yl]phenyl]-1H-indazol-3-yl]-2-methylphenyl]methyl]-1,2,4-oxadiazole-5-carboxamide (CID 168872162) is 3-tert-butyl-N-[[4-[5-[4-[4-[1-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]piperidin-4-yl]piperazin-1-yl]phenyl]-1H-indazol-3-yl]-2-methylphenyl]methyl]-1,2,4-oxadiazole-5-carboxamide.

What is the SMILES notation for 3-tert-butyl-N-[[4-[5-[4-[4-[1-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]piperidin-4-yl]piperazin-1-yl]phenyl]-1H-indazol-3-yl]-2-methylphenyl]methyl]-1,2,4-oxadiazole-5-carboxamide?

The canonical SMILES for 3-tert-butyl-N-[[4-[5-[4-[4-[1-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]piperidin-4-yl]piperazin-1-yl]phenyl]-1H-indazol-3-yl]-2-methylphenyl]methyl]-1,2,4-oxadiazole-5-carboxamide is Cc1cc(-c2n[nH]c3ccc(-c4ccc(N5CCN(C6CCN(Cc7ccc8c(c7)CN(C7CCC(=O)NC7=O)C8=O)CC6)CC5)cc4)cc23)ccc1CNC(=O)c1nc(C(C)(C)C)no1.

What is the InChIKey of 3-tert-butyl-N-[[4-[5-[4-[4-[1-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]piperidin-4-yl]piperazin-1-yl]phenyl]-1H-indazol-3-yl]-2-methylphenyl]methyl]-1,2,4-oxadiazole-5-carboxamide?

The InChIKey is LQXOZXLHWONQPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H56N10O5/c1-31-25-35(6-7-36(31)28-52-47(64)48-54-50(57-66-48)51(2,3)4)45-41-27-34(10-14-42(41)55-56-45)33-8-11-38(12-9-33)59-21-23-60(24-22-59)39-17-19-58(20-18-39)29-32-5-13-40-37(26-32)30-61(49(40)65)43-15-16-44(62)53-46(43)63/h5-14,25-27,39,43H,15-24,28-30H2,1-4H3,(H,52,64)(H,55,56)(H,53,62,63).

What are the key properties of 3-tert-butyl-N-[[4-[5-[4-[4-[1-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]piperidin-4-yl]piperazin-1-yl]phenyl]-1H-indazol-3-yl]-2-methylphenyl]methyl]-1,2,4-oxadiazole-5-carboxamide?

3-tert-butyl-N-[[4-[5-[4-[4-[1-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]piperidin-4-yl]piperazin-1-yl]phenyl]-1H-indazol-3-yl]-2-methylphenyl]methyl]-1,2,4-oxadiazole-5-carboxamide has a molecular weight of 889.07 g/mol, XLogP of 6.36, 10 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 3-tert-butyl-N-[[4-[5-[4-[4-[1-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]piperidin-4-yl]piperazin-1-yl]phenyl]-1H-indazol-3-yl]-2-methylphenyl]methyl]-1,2,4-oxadiazole-5-carboxamide is sourced from PubChem (CID 168872162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).