5-tert-butyl-N-[(1R)-1-[4-[5-[5-[5-[2-[5-(2,6-dioxopiperidin-3-yl)-4-methyl-2-pyridinyl]ethyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-2-methylphenyl]ethyl]-1,2,4-oxadiazole-3-carboxamide

C45H49N11O4 — CID 166069828

About 5-tert-butyl-N-[(1R)-1-[4-[5-[5-[5-[2-[5-(2,6-dioxopiperidin-3-yl)-4-methyl-2-pyridinyl]ethyl]-2,5-diazabicyclo[2.2.1]heptan-2-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-[5-[2-[5-(2,6-dioxopiperidin-3-yl)-4-methyl-2-pyridinyl]ethyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-2-methylphenyl]ethyl]-1,2,4-oxadiazole-3-carboxamide (PubChem CID 166069828) has the molecular formula C45H49N11O4 and a molecular weight of 807.96 g/mol. Its IUPAC name is 5-tert-butyl-N-[(1R)-1-[4-[5-[5-[5-[2-[5-(2,6-dioxopiperidin-3-yl)-4-methyl-2-pyridinyl]ethyl]-2,5-diazabicyclo[2.2.1]heptan-2-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-[5-[2-[5-(2,6-dioxopiperidin-3-yl)-4-methyl-2-pyridinyl]ethyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-2-methylphenyl]ethyl]-1,2,4-oxadiazole-3-carboxamide
• PubChem CID: 166069828
• Molecular Formula: C45H49N11O4
• Molecular Weight: 807.96 g/mol
• Exact Mass: 807.40
• IUPAC Name: 5-tert-butyl-N-[(1R)-1-[4-[5-[5-[5-[2-[5-(2,6-dioxopiperidin-3-yl)-4-methyl-2-pyridinyl]ethyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-2-methylphenyl]ethyl]-1,2,4-oxadiazole-3-carboxamide
• SMILES: Cc1cc(CCN2CC3CC2CN3c2ccc(-c3cnc4n[nH]c(-c5ccc([C@@H](C)NC(=O)c6noc(C(C)(C)C)n6)c(C)c5)c4c3)nc2)ncc1C1CCC(=O)NC1=O
• InChI: InChI=1S/C45H49N11O4/c1-24-15-27(7-9-33(24)26(3)49-43(59)41-51-44(60-54-41)45(4,5)6)39-35-17-28(19-48-40(35)53-52-39)37-11-8-30(20-47-37)56-23-31-18-32(56)22-55(31)14-13-29-16-25(2)36(21-46-29)34-10-12-38(57)50-42(34)58/h7-9,11,15-17,19-21,26,31-32,34H,10,12-14,18,22-23H2,1-6H3,(H,49,59)(H,48,52,53)(H,50,57,58)/t26-,31?,32?,34?/m1/s1
• InChIKey: DJYDIJVBMAFNHX-ZLXXWFQOSA-N
• XLogP: 5.90
• TPSA: 188.02 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 12
• Rotatable Bonds: 10
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	807.96
LogP ≤ 5	5.90
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-[5-[2-[5-(2,6-dioxopiperidin-3-yl)-4-methyl-2-pyridinyl]ethyl]-2,5-diazabicyclo[2.2.1]heptan-2-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-[5-[2-[5-(2,6-dioxopiperidin-3-yl)-4-methyl-2-pyridinyl]ethyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-2-methylphenyl]ethyl]-1,2,4-oxadiazole-3-carboxamide (CID 166069828) is 5-tert-butyl-N-[(1R)-1-[4-[5-[5-[5-[2-[5-(2,6-dioxopiperidin-3-yl)-4-methyl-2-pyridinyl]ethyl]-2,5-diazabicyclo[2.2.1]heptan-2-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-[5-[2-[5-(2,6-dioxopiperidin-3-yl)-4-methyl-2-pyridinyl]ethyl]-2,5-diazabicyclo[2.2.1]heptan-2-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-[5-[2-[5-(2,6-dioxopiperidin-3-yl)-4-methyl-2-pyridinyl]ethyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-2-methylphenyl]ethyl]-1,2,4-oxadiazole-3-carboxamide is Cc1cc(CCN2CC3CC2CN3c2ccc(-c3cnc4n[nH]c(-c5ccc([C@@H](C)NC(=O)c6noc(C(C)(C)C)n6)c(C)c5)c4c3)nc2)ncc1C1CCC(=O)NC1=O.

What is the InChIKey of 5-tert-butyl-N-[(1R)-1-[4-[5-[5-[5-[2-[5-(2,6-dioxopiperidin-3-yl)-4-methyl-2-pyridinyl]ethyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-2-methylphenyl]ethyl]-1,2,4-oxadiazole-3-carboxamide?

The InChIKey is DJYDIJVBMAFNHX-ZLXXWFQOSA-N. The full InChI is InChI=1S/C45H49N11O4/c1-24-15-27(7-9-33(24)26(3)49-43(59)41-51-44(60-54-41)45(4,5)6)39-35-17-28(19-48-40(35)53-52-39)37-11-8-30(20-47-37)56-23-31-18-32(56)22-55(31)14-13-29-16-25(2)36(21-46-29)34-10-12-38(57)50-42(34)58/h7-9,11,15-17,19-21,26,31-32,34H,10,12-14,18,22-23H2,1-6H3,(H,49,59)(H,48,52,53)(H,50,57,58)/t26-,31?,32?,34?/m1/s1.

What are the key properties of 5-tert-butyl-N-[(1R)-1-[4-[5-[5-[5-[2-[5-(2,6-dioxopiperidin-3-yl)-4-methyl-2-pyridinyl]ethyl]-2,5-diazabicyclo[2.2.1]heptan-2-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-[5-[2-[5-(2,6-dioxopiperidin-3-yl)-4-methyl-2-pyridinyl]ethyl]-2,5-diazabicyclo[2.2.1]heptan-2-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 807.96 g/mol, XLogP of 5.90, 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-[5-[2-[5-(2,6-dioxopiperidin-3-yl)-4-methyl-2-pyridinyl]ethyl]-2,5-diazabicyclo[2.2.1]heptan-2-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 166069828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).