2-(2,6-dioxopiperidin-3-yl)-4-[[1-[1-[2-[2-(3-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]acetyl]piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione

C34H32FN7O6 — CID 155469803

About 2-(2,6-dioxopiperidin-3-yl)-4-[[1-[1-[2-[2-(3-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]acetyl]piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione

2-(2,6-dioxopiperidin-3-yl)-4-[[1-[1-[2-[2-(3-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]acetyl]piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione (PubChem CID 155469803) has the molecular formula C34H32FN7O6 and a molecular weight of 653.67 g/mol. Its IUPAC name is 2-(2,6-dioxopiperidin-3-yl)-4-[[1-[1-[2-[2-(3-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]acetyl]piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione.

Molecular Properties

• Compound Name: 2-(2,6-dioxopiperidin-3-yl)-4-[[1-[1-[2-[2-(3-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]acetyl]piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione
• PubChem CID: 155469803
• Molecular Formula: C34H32FN7O6
• Molecular Weight: 653.67 g/mol
• Exact Mass: 653.24
• IUPAC Name: 2-(2,6-dioxopiperidin-3-yl)-4-[[1-[1-[2-[2-(3-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]acetyl]piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione
• SMILES: Cc1oc(-c2cccc(F)c2)nc1CC(=O)N1CCC(n2cc(CNc3cccc4c3C(=O)N(C3CCC(=O)NC3=O)C4=O)cn2)CC1
• InChI: InChI=1S/C34H32FN7O6/c1-19-26(38-32(48-19)21-4-2-5-22(35)14-21)15-29(44)40-12-10-23(11-13-40)41-18-20(17-37-41)16-36-25-7-3-6-24-30(25)34(47)42(33(24)46)27-8-9-28(43)39-31(27)45/h2-7,14,17-18,23,27,36H,8-13,15-16H2,1H3,(H,39,43,45)
• InChIKey: PJUFWGJNBVDWGC-UHFFFAOYSA-N
• XLogP: 3.41
• TPSA: 159.74 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	653.67
LogP ≤ 5	3.41
H-Bond Donors ≤ 5	2
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 2-(2,6-dioxopiperidin-3-yl)-4-[[1-[1-[2-[2-(3-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]acetyl]piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione?

The IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-4-[[1-[1-[2-[2-(3-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]acetyl]piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione (CID 155469803) is 2-(2,6-dioxopiperidin-3-yl)-4-[[1-[1-[2-[2-(3-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]acetyl]piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione.

What is the SMILES notation for 2-(2,6-dioxopiperidin-3-yl)-4-[[1-[1-[2-[2-(3-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]acetyl]piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione?

The canonical SMILES for 2-(2,6-dioxopiperidin-3-yl)-4-[[1-[1-[2-[2-(3-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]acetyl]piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione is Cc1oc(-c2cccc(F)c2)nc1CC(=O)N1CCC(n2cc(CNc3cccc4c3C(=O)N(C3CCC(=O)NC3=O)C4=O)cn2)CC1.

What is the InChIKey of 2-(2,6-dioxopiperidin-3-yl)-4-[[1-[1-[2-[2-(3-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]acetyl]piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione?

The InChIKey is PJUFWGJNBVDWGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H32FN7O6/c1-19-26(38-32(48-19)21-4-2-5-22(35)14-21)15-29(44)40-12-10-23(11-13-40)41-18-20(17-37-41)16-36-25-7-3-6-24-30(25)34(47)42(33(24)46)27-8-9-28(43)39-31(27)45/h2-7,14,17-18,23,27,36H,8-13,15-16H2,1H3,(H,39,43,45).

What are the key properties of 2-(2,6-dioxopiperidin-3-yl)-4-[[1-[1-[2-[2-(3-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]acetyl]piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione?

2-(2,6-dioxopiperidin-3-yl)-4-[[1-[1-[2-[2-(3-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]acetyl]piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione has a molecular weight of 653.67 g/mol, XLogP of 3.41, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,6-dioxopiperidin-3-yl)-4-[[1-[1-[2-[2-(3-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]acetyl]piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione is sourced from PubChem (CID 155469803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).