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

C45H48N8O6 — CID 166069735

About 5-tert-butyl-N-[(1R)-1-[4-[5-[4-[4-[[4-(2,6-dioxopiperidin-3-yl)oxyphenoxy]methyl]piperidin-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-[[4-(2,6-dioxopiperidin-3-yl)oxyphenoxy]methyl]piperidin-1-yl]phenyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-2-methylphenyl]ethyl]-1,2,4-oxadiazole-3-carboxamide (PubChem CID 166069735) has the molecular formula C45H48N8O6 and a molecular weight of 796.93 g/mol. Its IUPAC name is 5-tert-butyl-N-[(1R)-1-[4-[5-[4-[4-[[4-(2,6-dioxopiperidin-3-yl)oxyphenoxy]methyl]piperidin-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-[[4-(2,6-dioxopiperidin-3-yl)oxyphenoxy]methyl]piperidin-1-yl]phenyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-2-methylphenyl]ethyl]-1,2,4-oxadiazole-3-carboxamide
• PubChem CID: 166069735
• Molecular Formula: C45H48N8O6
• Molecular Weight: 796.93 g/mol
• Exact Mass: 796.37
• IUPAC Name: 5-tert-butyl-N-[(1R)-1-[4-[5-[4-[4-[[4-(2,6-dioxopiperidin-3-yl)oxyphenoxy]methyl]piperidin-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(N5CCC(COc6ccc(OC7CCC(=O)NC7=O)cc6)CC5)cc4)cc23)ccc1[C@@H](C)NC(=O)c1noc(C(C)(C)C)n1
• InChI: InChI=1S/C45H48N8O6/c1-26-22-30(8-15-35(26)27(2)47-43(56)41-49-44(59-52-41)45(3,4)5)39-36-23-31(24-46-40(36)51-50-39)29-6-9-32(10-7-29)53-20-18-28(19-21-53)25-57-33-11-13-34(14-12-33)58-37-16-17-38(54)48-42(37)55/h6-15,22-24,27-28,37H,16-21,25H2,1-5H3,(H,47,56)(H,46,50,51)(H,48,54,55)/t27-,37?/m1/s1
• InChIKey: LFKXUCRPNZQUOP-YNJTUNHHSA-N
• XLogP: 7.25
• TPSA: 177.46 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 11
• Rotatable Bonds: 11
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	796.93
LogP ≤ 5	7.25
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-[(1R)-1-[4-[5-[4-[4-[[4-(2,6-dioxopiperidin-3-yl)oxyphenoxy]methyl]piperidin-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-[[4-(2,6-dioxopiperidin-3-yl)oxyphenoxy]methyl]piperidin-1-yl]phenyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-2-methylphenyl]ethyl]-1,2,4-oxadiazole-3-carboxamide (CID 166069735) is 5-tert-butyl-N-[(1R)-1-[4-[5-[4-[4-[[4-(2,6-dioxopiperidin-3-yl)oxyphenoxy]methyl]piperidin-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-[[4-(2,6-dioxopiperidin-3-yl)oxyphenoxy]methyl]piperidin-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-[[4-(2,6-dioxopiperidin-3-yl)oxyphenoxy]methyl]piperidin-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(N5CCC(COc6ccc(OC7CCC(=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-[[4-(2,6-dioxopiperidin-3-yl)oxyphenoxy]methyl]piperidin-1-yl]phenyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-2-methylphenyl]ethyl]-1,2,4-oxadiazole-3-carboxamide?

The InChIKey is LFKXUCRPNZQUOP-YNJTUNHHSA-N. The full InChI is InChI=1S/C45H48N8O6/c1-26-22-30(8-15-35(26)27(2)47-43(56)41-49-44(59-52-41)45(3,4)5)39-36-23-31(24-46-40(36)51-50-39)29-6-9-32(10-7-29)53-20-18-28(19-21-53)25-57-33-11-13-34(14-12-33)58-37-16-17-38(54)48-42(37)55/h6-15,22-24,27-28,37H,16-21,25H2,1-5H3,(H,47,56)(H,46,50,51)(H,48,54,55)/t27-,37?/m1/s1.

What are the key properties of 5-tert-butyl-N-[(1R)-1-[4-[5-[4-[4-[[4-(2,6-dioxopiperidin-3-yl)oxyphenoxy]methyl]piperidin-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-[[4-(2,6-dioxopiperidin-3-yl)oxyphenoxy]methyl]piperidin-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 796.93 g/mol, XLogP of 7.25, 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-[(1R)-1-[4-[5-[4-[4-[[4-(2,6-dioxopiperidin-3-yl)oxyphenoxy]methyl]piperidin-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 166069735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).