5-tert-butyl-N-[[4-[5-[4-[4-[2-[1-[4-(2,6-dioxopiperidin-3-yl)-3-fluorophenyl]piperidin-4-yl]ethyl]piperazin-1-yl]phenyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-2-methylphenyl]methyl]-1,2,4-oxadiazole-3-carboxamide

C49H55FN10O4 — CID 166069895

About 5-tert-butyl-N-[[4-[5-[4-[4-[2-[1-[4-(2,6-dioxopiperidin-3-yl)-3-fluorophenyl]piperidin-4-yl]ethyl]piperazin-1-yl]phenyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-2-methylphenyl]methyl]-1,2,4-oxadiazole-3-carboxamide

5-tert-butyl-N-[[4-[5-[4-[4-[2-[1-[4-(2,6-dioxopiperidin-3-yl)-3-fluorophenyl]piperidin-4-yl]ethyl]piperazin-1-yl]phenyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-2-methylphenyl]methyl]-1,2,4-oxadiazole-3-carboxamide (PubChem CID 166069895) has the molecular formula C49H55FN10O4 and a molecular weight of 867.04 g/mol. Its IUPAC name is 5-tert-butyl-N-[[4-[5-[4-[4-[2-[1-[4-(2,6-dioxopiperidin-3-yl)-3-fluorophenyl]piperidin-4-yl]ethyl]piperazin-1-yl]phenyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-2-methylphenyl]methyl]-1,2,4-oxadiazole-3-carboxamide.

Molecular Properties

• Compound Name: 5-tert-butyl-N-[[4-[5-[4-[4-[2-[1-[4-(2,6-dioxopiperidin-3-yl)-3-fluorophenyl]piperidin-4-yl]ethyl]piperazin-1-yl]phenyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-2-methylphenyl]methyl]-1,2,4-oxadiazole-3-carboxamide
• PubChem CID: 166069895
• Molecular Formula: C49H55FN10O4
• Molecular Weight: 867.04 g/mol
• Exact Mass: 866.44
• IUPAC Name: 5-tert-butyl-N-[[4-[5-[4-[4-[2-[1-[4-(2,6-dioxopiperidin-3-yl)-3-fluorophenyl]piperidin-4-yl]ethyl]piperazin-1-yl]phenyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-2-methylphenyl]methyl]-1,2,4-oxadiazole-3-carboxamide
• SMILES: Cc1cc(-c2[nH]nc3ncc(-c4ccc(N5CCN(CCC6CCN(c7ccc(C8CCC(=O)NC8=O)c(F)c7)CC6)CC5)cc4)cc23)ccc1CNC(=O)c1noc(C(C)(C)C)n1
• InChI: InChI=1S/C49H55FN10O4/c1-30-25-33(5-6-34(30)28-52-47(63)45-54-48(64-57-45)49(2,3)4)43-40-26-35(29-51-44(40)56-55-43)32-7-9-36(10-8-32)60-23-21-58(22-24-60)18-15-31-16-19-59(20-17-31)37-11-12-38(41(50)27-37)39-13-14-42(61)53-46(39)62/h5-12,25-27,29,31,39H,13-24,28H2,1-4H3,(H,52,63)(H,51,55,56)(H,53,61,62)
• InChIKey: OXKKODMYTWRNBS-UHFFFAOYSA-N
• XLogP: 7.30
• TPSA: 165.48 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 11
• Rotatable Bonds: 11
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	867.04
LogP ≤ 5	7.30
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 5-tert-butyl-N-[[4-[5-[4-[4-[2-[1-[4-(2,6-dioxopiperidin-3-yl)-3-fluorophenyl]piperidin-4-yl]ethyl]piperazin-1-yl]phenyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-2-methylphenyl]methyl]-1,2,4-oxadiazole-3-carboxamide?

The IUPAC name of 5-tert-butyl-N-[[4-[5-[4-[4-[2-[1-[4-(2,6-dioxopiperidin-3-yl)-3-fluorophenyl]piperidin-4-yl]ethyl]piperazin-1-yl]phenyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-2-methylphenyl]methyl]-1,2,4-oxadiazole-3-carboxamide (CID 166069895) is 5-tert-butyl-N-[[4-[5-[4-[4-[2-[1-[4-(2,6-dioxopiperidin-3-yl)-3-fluorophenyl]piperidin-4-yl]ethyl]piperazin-1-yl]phenyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-2-methylphenyl]methyl]-1,2,4-oxadiazole-3-carboxamide.

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

The canonical SMILES for 5-tert-butyl-N-[[4-[5-[4-[4-[2-[1-[4-(2,6-dioxopiperidin-3-yl)-3-fluorophenyl]piperidin-4-yl]ethyl]piperazin-1-yl]phenyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-2-methylphenyl]methyl]-1,2,4-oxadiazole-3-carboxamide is Cc1cc(-c2[nH]nc3ncc(-c4ccc(N5CCN(CCC6CCN(c7ccc(C8CCC(=O)NC8=O)c(F)c7)CC6)CC5)cc4)cc23)ccc1CNC(=O)c1noc(C(C)(C)C)n1.

What is the InChIKey of 5-tert-butyl-N-[[4-[5-[4-[4-[2-[1-[4-(2,6-dioxopiperidin-3-yl)-3-fluorophenyl]piperidin-4-yl]ethyl]piperazin-1-yl]phenyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-2-methylphenyl]methyl]-1,2,4-oxadiazole-3-carboxamide?

The InChIKey is OXKKODMYTWRNBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H55FN10O4/c1-30-25-33(5-6-34(30)28-52-47(63)45-54-48(64-57-45)49(2,3)4)43-40-26-35(29-51-44(40)56-55-43)32-7-9-36(10-8-32)60-23-21-58(22-24-60)18-15-31-16-19-59(20-17-31)37-11-12-38(41(50)27-37)39-13-14-42(61)53-46(39)62/h5-12,25-27,29,31,39H,13-24,28H2,1-4H3,(H,52,63)(H,51,55,56)(H,53,61,62).

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

5-tert-butyl-N-[[4-[5-[4-[4-[2-[1-[4-(2,6-dioxopiperidin-3-yl)-3-fluorophenyl]piperidin-4-yl]ethyl]piperazin-1-yl]phenyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-2-methylphenyl]methyl]-1,2,4-oxadiazole-3-carboxamide has a molecular weight of 867.04 g/mol, XLogP of 7.30, 11 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 5-tert-butyl-N-[[4-[5-[4-[4-[2-[1-[4-(2,6-dioxopiperidin-3-yl)-3-fluorophenyl]piperidin-4-yl]ethyl]piperazin-1-yl]phenyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-2-methylphenyl]methyl]-1,2,4-oxadiazole-3-carboxamide is sourced from PubChem (CID 166069895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).