5-tert-butyl-N-[[4-[2-[4-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]piperidin-1-yl]butyl]pyrazolo[1,5-a]pyrimidin-7-yl]-2-methylphenyl]methyl]-1,2,4-oxadiazole-3-carboxamide;2,2,2-trifluoroacetic acid

C43H50F3N9O6 — CID 175601319

About 5-tert-butyl-N-[[4-[2-[4-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]piperidin-1-yl]butyl]pyrazolo[1,5-a]pyrimidin-7-yl]-2-methylphenyl]methyl]-1,2,4-oxadiazole-3-carboxamide;2,2,2-trifluoroacetic acid

5-tert-butyl-N-[[4-[2-[4-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]piperidin-1-yl]butyl]pyrazolo[1,5-a]pyrimidin-7-yl]-2-methylphenyl]methyl]-1,2,4-oxadiazole-3-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 175601319) has the molecular formula C43H50F3N9O6 and a molecular weight of 845.92 g/mol. Its IUPAC name is 5-tert-butyl-N-[[4-[2-[4-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]piperidin-1-yl]butyl]pyrazolo[1,5-a]pyrimidin-7-yl]-2-methylphenyl]methyl]-1,2,4-oxadiazole-3-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

• Compound Name: 5-tert-butyl-N-[[4-[2-[4-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]piperidin-1-yl]butyl]pyrazolo[1,5-a]pyrimidin-7-yl]-2-methylphenyl]methyl]-1,2,4-oxadiazole-3-carboxamide;2,2,2-trifluoroacetic acid
• PubChem CID: 175601319
• Molecular Formula: C43H50F3N9O6
• Molecular Weight: 845.92 g/mol
• Exact Mass: 845.38
• IUPAC Name: 5-tert-butyl-N-[[4-[2-[4-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]piperidin-1-yl]butyl]pyrazolo[1,5-a]pyrimidin-7-yl]-2-methylphenyl]methyl]-1,2,4-oxadiazole-3-carboxamide;2,2,2-trifluoroacetic acid
• SMILES: Cc1cc(-c2ccnc3cc(CCCCN4CCC(c5ccc(NC6CCC(=O)NC6=O)cc5)CC4)nn23)ccc1CNC(=O)c1noc(C(C)(C)C)n1.O=C(O)C(F)(F)F
• InChI: InChI=1S/C41H49N9O4.C2HF3O2/c1-26-23-29(8-9-30(26)25-43-39(53)37-46-40(54-48-37)41(2,3)4)34-16-19-42-35-24-32(47-50(34)35)7-5-6-20-49-21-17-28(18-22-49)27-10-12-31(13-11-27)44-33-14-15-36(51)45-38(33)52;3-2(4,5)1(6)7/h8-13,16,19,23-24,28,33,44H,5-7,14-15,17-18,20-22,25H2,1-4H3,(H,43,53)(H,45,51,52);(H,6,7)
• InChIKey: OJYGLKNQQDYUHJ-UHFFFAOYSA-N
• XLogP: 6.37
• TPSA: 196.95 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 12
• Rotatable Bonds: 12
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	845.92
LogP ≤ 5	6.37
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-N-[[4-[2-[4-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]piperidin-1-yl]butyl]pyrazolo[1,5-a]pyrimidin-7-yl]-2-methylphenyl]methyl]-1,2,4-oxadiazole-3-carboxamide;2,2,2-trifluoroacetic acid?

The IUPAC name of 5-tert-butyl-N-[[4-[2-[4-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]piperidin-1-yl]butyl]pyrazolo[1,5-a]pyrimidin-7-yl]-2-methylphenyl]methyl]-1,2,4-oxadiazole-3-carboxamide;2,2,2-trifluoroacetic acid (CID 175601319) is 5-tert-butyl-N-[[4-[2-[4-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]piperidin-1-yl]butyl]pyrazolo[1,5-a]pyrimidin-7-yl]-2-methylphenyl]methyl]-1,2,4-oxadiazole-3-carboxamide;2,2,2-trifluoroacetic acid.

What is the SMILES notation for 5-tert-butyl-N-[[4-[2-[4-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]piperidin-1-yl]butyl]pyrazolo[1,5-a]pyrimidin-7-yl]-2-methylphenyl]methyl]-1,2,4-oxadiazole-3-carboxamide;2,2,2-trifluoroacetic acid?

The canonical SMILES for 5-tert-butyl-N-[[4-[2-[4-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]piperidin-1-yl]butyl]pyrazolo[1,5-a]pyrimidin-7-yl]-2-methylphenyl]methyl]-1,2,4-oxadiazole-3-carboxamide;2,2,2-trifluoroacetic acid is Cc1cc(-c2ccnc3cc(CCCCN4CCC(c5ccc(NC6CCC(=O)NC6=O)cc5)CC4)nn23)ccc1CNC(=O)c1noc(C(C)(C)C)n1.O=C(O)C(F)(F)F.

What is the InChIKey of 5-tert-butyl-N-[[4-[2-[4-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]piperidin-1-yl]butyl]pyrazolo[1,5-a]pyrimidin-7-yl]-2-methylphenyl]methyl]-1,2,4-oxadiazole-3-carboxamide;2,2,2-trifluoroacetic acid?

The InChIKey is OJYGLKNQQDYUHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H49N9O4.C2HF3O2/c1-26-23-29(8-9-30(26)25-43-39(53)37-46-40(54-48-37)41(2,3)4)34-16-19-42-35-24-32(47-50(34)35)7-5-6-20-49-21-17-28(18-22-49)27-10-12-31(13-11-27)44-33-14-15-36(51)45-38(33)52;3-2(4,5)1(6)7/h8-13,16,19,23-24,28,33,44H,5-7,14-15,17-18,20-22,25H2,1-4H3,(H,43,53)(H,45,51,52);(H,6,7).

What are the key properties of 5-tert-butyl-N-[[4-[2-[4-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]piperidin-1-yl]butyl]pyrazolo[1,5-a]pyrimidin-7-yl]-2-methylphenyl]methyl]-1,2,4-oxadiazole-3-carboxamide;2,2,2-trifluoroacetic acid?

5-tert-butyl-N-[[4-[2-[4-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]piperidin-1-yl]butyl]pyrazolo[1,5-a]pyrimidin-7-yl]-2-methylphenyl]methyl]-1,2,4-oxadiazole-3-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 845.92 g/mol, XLogP of 6.37, 12 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 5-tert-butyl-N-[[4-[2-[4-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]piperidin-1-yl]butyl]pyrazolo[1,5-a]pyrimidin-7-yl]-2-methylphenyl]methyl]-1,2,4-oxadiazole-3-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 175601319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).