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

C44H48N10O4 — CID 170165335

About 5-tert-butyl-N-[1-[4-[5-[4-[4-[2-[5-(2,6-dioxopiperidin-3-yl)-2-pyridinyl]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-[1-[4-[5-[4-[4-[2-[5-(2,6-dioxopiperidin-3-yl)-2-pyridinyl]ethyl]piperazin-1-yl]phenyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-2-methylphenyl]ethyl]-1,2,4-oxadiazole-3-carboxamide (PubChem CID 170165335) has the molecular formula C44H48N10O4 and a molecular weight of 780.93 g/mol. Its IUPAC name is 5-tert-butyl-N-[1-[4-[5-[4-[4-[2-[5-(2,6-dioxopiperidin-3-yl)-2-pyridinyl]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-[1-[4-[5-[4-[4-[2-[5-(2,6-dioxopiperidin-3-yl)-2-pyridinyl]ethyl]piperazin-1-yl]phenyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-2-methylphenyl]ethyl]-1,2,4-oxadiazole-3-carboxamide
• PubChem CID: 170165335
• Molecular Formula: C44H48N10O4
• Molecular Weight: 780.93 g/mol
• Exact Mass: 780.39
• IUPAC Name: 5-tert-butyl-N-[1-[4-[5-[4-[4-[2-[5-(2,6-dioxopiperidin-3-yl)-2-pyridinyl]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(C7CCC(=O)NC7=O)cn6)CC5)cc4)cc23)ccc1C(C)NC(=O)c1noc(C(C)(C)C)n1
• InChI: InChI=1S/C44H48N10O4/c1-26-22-29(9-13-34(26)27(2)47-42(57)40-49-43(58-52-40)44(3,4)5)38-36-23-31(25-46-39(36)51-50-38)28-7-11-33(12-8-28)54-20-18-53(19-21-54)17-16-32-10-6-30(24-45-32)35-14-15-37(55)48-41(35)56/h6-13,22-25,27,35H,14-21H2,1-5H3,(H,47,57)(H,46,50,51)(H,48,55,56)
• InChIKey: NKDWLYHZEZCCDV-UHFFFAOYSA-N
• XLogP: 6.05
• TPSA: 175.13 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 11
• Rotatable Bonds: 10
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	780.93
LogP ≤ 5	6.05
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-[1-[4-[5-[4-[4-[2-[5-(2,6-dioxopiperidin-3-yl)-2-pyridinyl]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-[1-[4-[5-[4-[4-[2-[5-(2,6-dioxopiperidin-3-yl)-2-pyridinyl]ethyl]piperazin-1-yl]phenyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-2-methylphenyl]ethyl]-1,2,4-oxadiazole-3-carboxamide (CID 170165335) is 5-tert-butyl-N-[1-[4-[5-[4-[4-[2-[5-(2,6-dioxopiperidin-3-yl)-2-pyridinyl]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-[1-[4-[5-[4-[4-[2-[5-(2,6-dioxopiperidin-3-yl)-2-pyridinyl]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-[1-[4-[5-[4-[4-[2-[5-(2,6-dioxopiperidin-3-yl)-2-pyridinyl]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(C7CCC(=O)NC7=O)cn6)CC5)cc4)cc23)ccc1C(C)NC(=O)c1noc(C(C)(C)C)n1.

What is the InChIKey of 5-tert-butyl-N-[1-[4-[5-[4-[4-[2-[5-(2,6-dioxopiperidin-3-yl)-2-pyridinyl]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 NKDWLYHZEZCCDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H48N10O4/c1-26-22-29(9-13-34(26)27(2)47-42(57)40-49-43(58-52-40)44(3,4)5)38-36-23-31(25-46-39(36)51-50-38)28-7-11-33(12-8-28)54-20-18-53(19-21-54)17-16-32-10-6-30(24-45-32)35-14-15-37(55)48-41(35)56/h6-13,22-25,27,35H,14-21H2,1-5H3,(H,47,57)(H,46,50,51)(H,48,55,56).

What are the key properties of 5-tert-butyl-N-[1-[4-[5-[4-[4-[2-[5-(2,6-dioxopiperidin-3-yl)-2-pyridinyl]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-[1-[4-[5-[4-[4-[2-[5-(2,6-dioxopiperidin-3-yl)-2-pyridinyl]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 780.93 g/mol, XLogP of 6.05, 10 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 5-tert-butyl-N-[1-[4-[5-[4-[4-[2-[5-(2,6-dioxopiperidin-3-yl)-2-pyridinyl]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 170165335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).