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

C41H41N9O4 — CID 169284989

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

5-[(1R)-1-[4-[5-[4-[4-[2-[4-[(3S)-2,6-dioxopiperidin-3-yl]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 169284989) has the molecular formula C41H41N9O4 and a molecular weight of 723.84 g/mol. Its IUPAC name is 5-[(1R)-1-[4-[5-[4-[4-[2-[4-[(3S)-2,6-dioxopiperidin-3-yl]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-[(1R)-1-[4-[5-[4-[4-[2-[4-[(3S)-2,6-dioxopiperidin-3-yl]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: 169284989
• Molecular Formula: C41H41N9O4
• Molecular Weight: 723.84 g/mol
• Exact Mass: 723.33
• IUPAC Name: 5-[(1R)-1-[4-[5-[4-[4-[2-[4-[(3S)-2,6-dioxopiperidin-3-yl]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([C@@H]7CCC(=O)NC7=O)cc6)CC5)cc4)cc23)ccc1[C@@H](C)c1nc(C(N)=O)no1
• InChI: InChI=1S/C41H41N9O4/c1-24-21-29(9-12-32(24)25(2)41-45-39(37(42)52)48-54-41)36-34-22-30(23-43-38(34)47-46-36)27-7-10-31(11-8-27)50-19-17-49(18-20-50)16-15-26-3-5-28(6-4-26)33-13-14-35(51)44-40(33)53/h3-12,21-23,25,33H,13-20H2,1-2H3,(H2,42,52)(H,43,46,47)(H,44,51,53)/t25-,33+/m1/s1
• InChIKey: SQNXEIRUBNWDQZ-HPMVVLTCSA-N
• XLogP: 5.12
• TPSA: 176.23 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 10
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	723.84
LogP ≤ 5	5.12
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-[(1R)-1-[4-[5-[4-[4-[2-[4-[(3S)-2,6-dioxopiperidin-3-yl]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-[(1R)-1-[4-[5-[4-[4-[2-[4-[(3S)-2,6-dioxopiperidin-3-yl]phenyl]ethyl]piperazin-1-yl]phenyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-2-methylphenyl]ethyl]-1,2,4-oxadiazole-3-carboxamide (CID 169284989) is 5-[(1R)-1-[4-[5-[4-[4-[2-[4-[(3S)-2,6-dioxopiperidin-3-yl]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-[(1R)-1-[4-[5-[4-[4-[2-[4-[(3S)-2,6-dioxopiperidin-3-yl]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-[(1R)-1-[4-[5-[4-[4-[2-[4-[(3S)-2,6-dioxopiperidin-3-yl]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([C@@H]7CCC(=O)NC7=O)cc6)CC5)cc4)cc23)ccc1[C@@H](C)c1nc(C(N)=O)no1.

What is the InChIKey of 5-[(1R)-1-[4-[5-[4-[4-[2-[4-[(3S)-2,6-dioxopiperidin-3-yl]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 SQNXEIRUBNWDQZ-HPMVVLTCSA-N. The full InChI is InChI=1S/C41H41N9O4/c1-24-21-29(9-12-32(24)25(2)41-45-39(37(42)52)48-54-41)36-34-22-30(23-43-38(34)47-46-36)27-7-10-31(11-8-27)50-19-17-49(18-20-50)16-15-26-3-5-28(6-4-26)33-13-14-35(51)44-40(33)53/h3-12,21-23,25,33H,13-20H2,1-2H3,(H2,42,52)(H,43,46,47)(H,44,51,53)/t25-,33+/m1/s1.

What are the key properties of 5-[(1R)-1-[4-[5-[4-[4-[2-[4-[(3S)-2,6-dioxopiperidin-3-yl]phenyl]ethyl]piperazin-1-yl]phenyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-2-methylphenyl]ethyl]-1,2,4-oxadiazole-3-carboxamide?

5-[(1R)-1-[4-[5-[4-[4-[2-[4-[(3S)-2,6-dioxopiperidin-3-yl]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 723.84 g/mol, XLogP of 5.12, 10 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(1R)-1-[4-[5-[4-[4-[2-[4-[(3S)-2,6-dioxopiperidin-3-yl]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 169284989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).