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

C41H41N9O4 — CID 169284991

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

5-[(1R)-1-[4-[5-[6-[1-[2-[4-[(3R)-2,6-dioxopiperidin-3-yl]phenyl]ethyl]piperidin-4-yl]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-2-methylphenyl]ethyl]-1,2,4-oxadiazole-3-carboxamide (PubChem CID 169284991) has the molecular formula C41H41N9O4 and a molecular weight of 723.84 g/mol. Its IUPAC name is 5-[(1R)-1-[4-[5-[6-[1-[2-[4-[(3R)-2,6-dioxopiperidin-3-yl]phenyl]ethyl]piperidin-4-yl]-3-pyridinyl]-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-[6-[1-[2-[4-[(3R)-2,6-dioxopiperidin-3-yl]phenyl]ethyl]piperidin-4-yl]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-2-methylphenyl]ethyl]-1,2,4-oxadiazole-3-carboxamide
• PubChem CID: 169284991
• Molecular Formula: C41H41N9O4
• Molecular Weight: 723.84 g/mol
• Exact Mass: 723.33
• IUPAC Name: 5-[(1R)-1-[4-[5-[6-[1-[2-[4-[(3R)-2,6-dioxopiperidin-3-yl]phenyl]ethyl]piperidin-4-yl]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-2-methylphenyl]ethyl]-1,2,4-oxadiazole-3-carboxamide
• SMILES: Cc1cc(-c2[nH]nc3ncc(-c4ccc(C5CCN(CCc6ccc([C@H]7CCC(=O)NC7=O)cc6)CC5)nc4)cc23)ccc1[C@@H](C)c1nc(C(N)=O)no1
• InChI: InChI=1S/C41H41N9O4/c1-23-19-28(7-9-31(23)24(2)41-46-39(37(42)52)49-54-41)36-33-20-30(22-44-38(33)48-47-36)29-8-11-34(43-21-29)27-14-17-50(18-15-27)16-13-25-3-5-26(6-4-25)32-10-12-35(51)45-40(32)53/h3-9,11,19-22,24,27,32H,10,12-18H2,1-2H3,(H2,42,52)(H,44,47,48)(H,45,51,53)/t24-,32-/m1/s1
• InChIKey: BMTRDNPQRRZUTC-GPNASLBKSA-N
• XLogP: 5.57
• TPSA: 185.88 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	5.57
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-[6-[1-[2-[4-[(3R)-2,6-dioxopiperidin-3-yl]phenyl]ethyl]piperidin-4-yl]-3-pyridinyl]-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-[6-[1-[2-[4-[(3R)-2,6-dioxopiperidin-3-yl]phenyl]ethyl]piperidin-4-yl]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-2-methylphenyl]ethyl]-1,2,4-oxadiazole-3-carboxamide (CID 169284991) is 5-[(1R)-1-[4-[5-[6-[1-[2-[4-[(3R)-2,6-dioxopiperidin-3-yl]phenyl]ethyl]piperidin-4-yl]-3-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-[(1R)-1-[4-[5-[6-[1-[2-[4-[(3R)-2,6-dioxopiperidin-3-yl]phenyl]ethyl]piperidin-4-yl]-3-pyridinyl]-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-[6-[1-[2-[4-[(3R)-2,6-dioxopiperidin-3-yl]phenyl]ethyl]piperidin-4-yl]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-2-methylphenyl]ethyl]-1,2,4-oxadiazole-3-carboxamide is Cc1cc(-c2[nH]nc3ncc(-c4ccc(C5CCN(CCc6ccc([C@H]7CCC(=O)NC7=O)cc6)CC5)nc4)cc23)ccc1[C@@H](C)c1nc(C(N)=O)no1.

What is the InChIKey of 5-[(1R)-1-[4-[5-[6-[1-[2-[4-[(3R)-2,6-dioxopiperidin-3-yl]phenyl]ethyl]piperidin-4-yl]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-2-methylphenyl]ethyl]-1,2,4-oxadiazole-3-carboxamide?

The InChIKey is BMTRDNPQRRZUTC-GPNASLBKSA-N. The full InChI is InChI=1S/C41H41N9O4/c1-23-19-28(7-9-31(23)24(2)41-46-39(37(42)52)49-54-41)36-33-20-30(22-44-38(33)48-47-36)29-8-11-34(43-21-29)27-14-17-50(18-15-27)16-13-25-3-5-26(6-4-25)32-10-12-35(51)45-40(32)53/h3-9,11,19-22,24,27,32H,10,12-18H2,1-2H3,(H2,42,52)(H,44,47,48)(H,45,51,53)/t24-,32-/m1/s1.

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

5-[(1R)-1-[4-[5-[6-[1-[2-[4-[(3R)-2,6-dioxopiperidin-3-yl]phenyl]ethyl]piperidin-4-yl]-3-pyridinyl]-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 5.57, 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-[6-[1-[2-[4-[(3R)-2,6-dioxopiperidin-3-yl]phenyl]ethyl]piperidin-4-yl]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-2-methylphenyl]ethyl]-1,2,4-oxadiazole-3-carboxamide is sourced from PubChem (CID 169284991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).