5-tert-butyl-N-[(1R)-1-[4-[5-[5-[8-[2-[5-(2,6-dioxopiperidin-3-yl)-6-methyl-2-pyridinyl]ethyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-2-methylphenyl]ethyl]-1,2,4-oxadiazole-3-carboxamide

C46H51N11O4 — CID 166739146

About 5-tert-butyl-N-[(1R)-1-[4-[5-[5-[8-[2-[5-(2,6-dioxopiperidin-3-yl)-6-methyl-2-pyridinyl]ethyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]-2-pyridinyl]-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-[5-[8-[2-[5-(2,6-dioxopiperidin-3-yl)-6-methyl-2-pyridinyl]ethyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-2-methylphenyl]ethyl]-1,2,4-oxadiazole-3-carboxamide (PubChem CID 166739146) has the molecular formula C46H51N11O4 and a molecular weight of 821.99 g/mol. Its IUPAC name is 5-tert-butyl-N-[(1R)-1-[4-[5-[5-[8-[2-[5-(2,6-dioxopiperidin-3-yl)-6-methyl-2-pyridinyl]ethyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]-2-pyridinyl]-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-[5-[8-[2-[5-(2,6-dioxopiperidin-3-yl)-6-methyl-2-pyridinyl]ethyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-2-methylphenyl]ethyl]-1,2,4-oxadiazole-3-carboxamide
• PubChem CID: 166739146
• Molecular Formula: C46H51N11O4
• Molecular Weight: 821.99 g/mol
• Exact Mass: 821.41
• IUPAC Name: 5-tert-butyl-N-[(1R)-1-[4-[5-[5-[8-[2-[5-(2,6-dioxopiperidin-3-yl)-6-methyl-2-pyridinyl]ethyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-2-methylphenyl]ethyl]-1,2,4-oxadiazole-3-carboxamide
• SMILES: Cc1cc(-c2[nH]nc3ncc(-c4ccc(N5CC6CCC(C5)N6CCc5ccc(C6CCC(=O)NC6=O)c(C)n5)cn4)cc23)ccc1[C@@H](C)NC(=O)c1noc(C(C)(C)C)n1
• InChI: InChI=1S/C46H51N11O4/c1-25-19-28(7-12-34(25)26(2)50-44(60)42-52-45(61-55-42)46(4,5)6)40-37-20-29(21-48-41(37)54-53-40)38-15-11-31(22-47-38)56-23-32-9-10-33(24-56)57(32)18-17-30-8-13-35(27(3)49-30)36-14-16-39(58)51-43(36)59/h7-8,11-13,15,19-22,26,32-33,36H,9-10,14,16-18,23-24H2,1-6H3,(H,50,60)(H,48,53,54)(H,51,58,59)/t26-,32?,33?,36?/m1/s1
• InChIKey: LICRNARMSOXKBF-VAPXDKKOSA-N
• XLogP: 6.29
• TPSA: 188.02 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 12
• Rotatable Bonds: 10
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	821.99
LogP ≤ 5	6.29
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	12

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-[5-[8-[2-[5-(2,6-dioxopiperidin-3-yl)-6-methyl-2-pyridinyl]ethyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]-2-pyridinyl]-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-[5-[8-[2-[5-(2,6-dioxopiperidin-3-yl)-6-methyl-2-pyridinyl]ethyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-2-methylphenyl]ethyl]-1,2,4-oxadiazole-3-carboxamide (CID 166739146) is 5-tert-butyl-N-[(1R)-1-[4-[5-[5-[8-[2-[5-(2,6-dioxopiperidin-3-yl)-6-methyl-2-pyridinyl]ethyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]-2-pyridinyl]-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-[5-[8-[2-[5-(2,6-dioxopiperidin-3-yl)-6-methyl-2-pyridinyl]ethyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]-2-pyridinyl]-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-[5-[8-[2-[5-(2,6-dioxopiperidin-3-yl)-6-methyl-2-pyridinyl]ethyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-2-methylphenyl]ethyl]-1,2,4-oxadiazole-3-carboxamide is Cc1cc(-c2[nH]nc3ncc(-c4ccc(N5CC6CCC(C5)N6CCc5ccc(C6CCC(=O)NC6=O)c(C)n5)cn4)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-[5-[8-[2-[5-(2,6-dioxopiperidin-3-yl)-6-methyl-2-pyridinyl]ethyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-2-methylphenyl]ethyl]-1,2,4-oxadiazole-3-carboxamide?

The InChIKey is LICRNARMSOXKBF-VAPXDKKOSA-N. The full InChI is InChI=1S/C46H51N11O4/c1-25-19-28(7-12-34(25)26(2)50-44(60)42-52-45(61-55-42)46(4,5)6)40-37-20-29(21-48-41(37)54-53-40)38-15-11-31(22-47-38)56-23-32-9-10-33(24-56)57(32)18-17-30-8-13-35(27(3)49-30)36-14-16-39(58)51-43(36)59/h7-8,11-13,15,19-22,26,32-33,36H,9-10,14,16-18,23-24H2,1-6H3,(H,50,60)(H,48,53,54)(H,51,58,59)/t26-,32?,33?,36?/m1/s1.

What are the key properties of 5-tert-butyl-N-[(1R)-1-[4-[5-[5-[8-[2-[5-(2,6-dioxopiperidin-3-yl)-6-methyl-2-pyridinyl]ethyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]-2-pyridinyl]-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-[5-[8-[2-[5-(2,6-dioxopiperidin-3-yl)-6-methyl-2-pyridinyl]ethyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-2-methylphenyl]ethyl]-1,2,4-oxadiazole-3-carboxamide has a molecular weight of 821.99 g/mol, XLogP of 6.29, 10 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 5-tert-butyl-N-[(1R)-1-[4-[5-[5-[8-[2-[5-(2,6-dioxopiperidin-3-yl)-6-methyl-2-pyridinyl]ethyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-2-methylphenyl]ethyl]-1,2,4-oxadiazole-3-carboxamide is sourced from PubChem (CID 166739146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).