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

C45H50N10O4 — CID 166069845

About 5-tert-butyl-N-[(1R)-1-[4-[5-[4-[4-[2-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]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)amino]phenyl]ethyl]piperazin-1-yl]phenyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-2-methylphenyl]ethyl]-1,2,4-oxadiazole-3-carboxamide (PubChem CID 166069845) has the molecular formula C45H50N10O4 and a molecular weight of 794.96 g/mol. Its IUPAC name is 5-tert-butyl-N-[(1R)-1-[4-[5-[4-[4-[2-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]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)amino]phenyl]ethyl]piperazin-1-yl]phenyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-2-methylphenyl]ethyl]-1,2,4-oxadiazole-3-carboxamide
• PubChem CID: 166069845
• Molecular Formula: C45H50N10O4
• Molecular Weight: 794.96 g/mol
• Exact Mass: 794.40
• IUPAC Name: 5-tert-butyl-N-[(1R)-1-[4-[5-[4-[4-[2-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]ethyl]piperazin-1-yl]phenyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-2-methylphenyl]ethyl]-1,2,4-oxadiazole-3-carboxamide
• SMILES: Cc1cc(-c2[nH]nc3ncc(-c4ccc(N5CCN(CCc6ccc(NC7CCC(=O)NC7=O)cc6)CC5)cc4)cc23)ccc1[C@@H](C)NC(=O)c1noc(C(C)(C)C)n1
• InChI: InChI=1S/C45H50N10O4/c1-27-24-31(10-15-35(27)28(2)47-43(58)41-50-44(59-53-41)45(3,4)5)39-36-25-32(26-46-40(36)52-51-39)30-8-13-34(14-9-30)55-22-20-54(21-23-55)19-18-29-6-11-33(12-7-29)48-37-16-17-38(56)49-42(37)57/h6-15,24-26,28,37,48H,16-23H2,1-5H3,(H,47,58)(H,46,51,52)(H,49,56,57)/t28-,37?/m1/s1
• InChIKey: ZJJPPANWRJUVMQ-SMQAERNASA-N
• XLogP: 6.35
• TPSA: 174.27 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 11
• Rotatable Bonds: 11
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	794.96
LogP ≤ 5	6.35
H-Bond Donors ≤ 5	4
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-[(1R)-1-[4-[5-[4-[4-[2-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]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)amino]phenyl]ethyl]piperazin-1-yl]phenyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-2-methylphenyl]ethyl]-1,2,4-oxadiazole-3-carboxamide (CID 166069845) is 5-tert-butyl-N-[(1R)-1-[4-[5-[4-[4-[2-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]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)amino]phenyl]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)amino]phenyl]ethyl]piperazin-1-yl]phenyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-2-methylphenyl]ethyl]-1,2,4-oxadiazole-3-carboxamide is Cc1cc(-c2[nH]nc3ncc(-c4ccc(N5CCN(CCc6ccc(NC7CCC(=O)NC7=O)cc6)CC5)cc4)cc23)ccc1[C@@H](C)NC(=O)c1noc(C(C)(C)C)n1.

What is the InChIKey of 5-tert-butyl-N-[(1R)-1-[4-[5-[4-[4-[2-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]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 ZJJPPANWRJUVMQ-SMQAERNASA-N. The full InChI is InChI=1S/C45H50N10O4/c1-27-24-31(10-15-35(27)28(2)47-43(58)41-50-44(59-53-41)45(3,4)5)39-36-25-32(26-46-40(36)52-51-39)30-8-13-34(14-9-30)55-22-20-54(21-23-55)19-18-29-6-11-33(12-7-29)48-37-16-17-38(56)49-42(37)57/h6-15,24-26,28,37,48H,16-23H2,1-5H3,(H,47,58)(H,46,51,52)(H,49,56,57)/t28-,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)amino]phenyl]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)amino]phenyl]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 794.96 g/mol, XLogP of 6.35, 11 rotatable bonds, 4 hydrogen bond donors, and 11 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)amino]phenyl]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 166069845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).