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

C46H51N9O4 — CID 166069723

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

5-tert-butyl-N-[(1R)-1-[4-[5-[4-[4-[2-[4-(2,6-dioxopiperidin-3-yl)-3-methylphenyl]ethyl]piperazin-1-yl]phenyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-2-methylphenyl]ethyl]-1,2,4-oxadiazole-3-carboxamide (PubChem CID 166069723) has the molecular formula C46H51N9O4 and a molecular weight of 793.97 g/mol. Its IUPAC name is 5-tert-butyl-N-[(1R)-1-[4-[5-[4-[4-[2-[4-(2,6-dioxopiperidin-3-yl)-3-methylphenyl]ethyl]piperazin-1-yl]phenyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-2-methylphenyl]ethyl]-1,2,4-oxadiazole-3-carboxamide.

Molecular Properties

• Compound Name: 5-tert-butyl-N-[(1R)-1-[4-[5-[4-[4-[2-[4-(2,6-dioxopiperidin-3-yl)-3-methylphenyl]ethyl]piperazin-1-yl]phenyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-2-methylphenyl]ethyl]-1,2,4-oxadiazole-3-carboxamide
• PubChem CID: 166069723
• Molecular Formula: C46H51N9O4
• Molecular Weight: 793.97 g/mol
• Exact Mass: 793.41
• IUPAC Name: 5-tert-butyl-N-[(1R)-1-[4-[5-[4-[4-[2-[4-(2,6-dioxopiperidin-3-yl)-3-methylphenyl]ethyl]piperazin-1-yl]phenyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-2-methylphenyl]ethyl]-1,2,4-oxadiazole-3-carboxamide
• SMILES: Cc1cc(CCN2CCN(c3ccc(-c4cnc5n[nH]c(-c6ccc([C@@H](C)NC(=O)c7noc(C(C)(C)C)n7)c(C)c6)c5c4)cc3)CC2)ccc1C1CCC(=O)NC1=O
• InChI: InChI=1S/C46H51N9O4/c1-27-23-30(7-13-36(27)37-15-16-39(56)49-43(37)57)17-18-54-19-21-55(22-20-54)34-11-8-31(9-12-34)33-25-38-40(51-52-41(38)47-26-33)32-10-14-35(28(2)24-32)29(3)48-44(58)42-50-45(59-53-42)46(4,5)6/h7-14,23-26,29,37H,15-22H2,1-6H3,(H,48,58)(H,47,51,52)(H,49,56,57)/t29-,37?/m1/s1
• InChIKey: CJUJFSDJYXGGCX-ZBJGQNTJSA-N
• XLogP: 6.97
• TPSA: 162.24 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 10
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	793.97
LogP ≤ 5	6.97
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 5-tert-butyl-N-[(1R)-1-[4-[5-[4-[4-[2-[4-(2,6-dioxopiperidin-3-yl)-3-methylphenyl]ethyl]piperazin-1-yl]phenyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-2-methylphenyl]ethyl]-1,2,4-oxadiazole-3-carboxamide (CID 166069723) is 5-tert-butyl-N-[(1R)-1-[4-[5-[4-[4-[2-[4-(2,6-dioxopiperidin-3-yl)-3-methylphenyl]ethyl]piperazin-1-yl]phenyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-2-methylphenyl]ethyl]-1,2,4-oxadiazole-3-carboxamide.

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

The canonical SMILES for 5-tert-butyl-N-[(1R)-1-[4-[5-[4-[4-[2-[4-(2,6-dioxopiperidin-3-yl)-3-methylphenyl]ethyl]piperazin-1-yl]phenyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-2-methylphenyl]ethyl]-1,2,4-oxadiazole-3-carboxamide is Cc1cc(CCN2CCN(c3ccc(-c4cnc5n[nH]c(-c6ccc([C@@H](C)NC(=O)c7noc(C(C)(C)C)n7)c(C)c6)c5c4)cc3)CC2)ccc1C1CCC(=O)NC1=O.

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

The InChIKey is CJUJFSDJYXGGCX-ZBJGQNTJSA-N. The full InChI is InChI=1S/C46H51N9O4/c1-27-23-30(7-13-36(27)37-15-16-39(56)49-43(37)57)17-18-54-19-21-55(22-20-54)34-11-8-31(9-12-34)33-25-38-40(51-52-41(38)47-26-33)32-10-14-35(28(2)24-32)29(3)48-44(58)42-50-45(59-53-42)46(4,5)6/h7-14,23-26,29,37H,15-22H2,1-6H3,(H,48,58)(H,47,51,52)(H,49,56,57)/t29-,37?/m1/s1.

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

5-tert-butyl-N-[(1R)-1-[4-[5-[4-[4-[2-[4-(2,6-dioxopiperidin-3-yl)-3-methylphenyl]ethyl]piperazin-1-yl]phenyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-2-methylphenyl]ethyl]-1,2,4-oxadiazole-3-carboxamide has a molecular weight of 793.97 g/mol, XLogP of 6.97, 10 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 5-tert-butyl-N-[(1R)-1-[4-[5-[4-[4-[2-[4-(2,6-dioxopiperidin-3-yl)-3-methylphenyl]ethyl]piperazin-1-yl]phenyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-2-methylphenyl]ethyl]-1,2,4-oxadiazole-3-carboxamide is sourced from PubChem (CID 166069723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).