5-[4-[2-[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1,3-dioxoisoindol-5-yl]-2-azaspiro[3.3]heptan-6-yl]piperazin-1-yl]pyrazine-2-carboxamide

C28H29FN8O5 — CID 162689621

About 5-[4-[2-[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1,3-dioxoisoindol-5-yl]-2-azaspiro[3.3]heptan-6-yl]piperazin-1-yl]pyrazine-2-carboxamide

5-[4-[2-[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1,3-dioxoisoindol-5-yl]-2-azaspiro[3.3]heptan-6-yl]piperazin-1-yl]pyrazine-2-carboxamide (PubChem CID 162689621) has the molecular formula C28H29FN8O5 and a molecular weight of 576.59 g/mol. Its IUPAC name is 5-[4-[2-[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1,3-dioxoisoindol-5-yl]-2-azaspiro[3.3]heptan-6-yl]piperazin-1-yl]pyrazine-2-carboxamide.

Molecular Properties

• Compound Name: 5-[4-[2-[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1,3-dioxoisoindol-5-yl]-2-azaspiro[3.3]heptan-6-yl]piperazin-1-yl]pyrazine-2-carboxamide
• PubChem CID: 162689621
• Molecular Formula: C28H29FN8O5
• Molecular Weight: 576.59 g/mol
• Exact Mass: 576.22
• IUPAC Name: 5-[4-[2-[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1,3-dioxoisoindol-5-yl]-2-azaspiro[3.3]heptan-6-yl]piperazin-1-yl]pyrazine-2-carboxamide
• SMILES: NC(=O)c1cnc(N2CCN(C3CC4(C3)CN(c3cc5c(cc3F)C(=O)N(C3CCC(=O)NC3=O)C5=O)C4)CC2)cn1
• InChI: InChI=1S/C28H29FN8O5/c29-18-7-16-17(27(42)37(26(16)41)20-1-2-23(38)33-25(20)40)8-21(18)36-13-28(14-36)9-15(10-28)34-3-5-35(6-4-34)22-12-31-19(11-32-22)24(30)39/h7-8,11-12,15,20H,1-6,9-10,13-14H2,(H2,30,39)(H,33,38,40)
• InChIKey: KHEOSWYEAXVENP-UHFFFAOYSA-N
• XLogP: -0.09
• TPSA: 162.14 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 5
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	576.59
LogP ≤ 5	-0.09
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 5-[4-[2-[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1,3-dioxoisoindol-5-yl]-2-azaspiro[3.3]heptan-6-yl]piperazin-1-yl]pyrazine-2-carboxamide?

The IUPAC name of 5-[4-[2-[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1,3-dioxoisoindol-5-yl]-2-azaspiro[3.3]heptan-6-yl]piperazin-1-yl]pyrazine-2-carboxamide (CID 162689621) is 5-[4-[2-[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1,3-dioxoisoindol-5-yl]-2-azaspiro[3.3]heptan-6-yl]piperazin-1-yl]pyrazine-2-carboxamide.

What is the SMILES notation for 5-[4-[2-[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1,3-dioxoisoindol-5-yl]-2-azaspiro[3.3]heptan-6-yl]piperazin-1-yl]pyrazine-2-carboxamide?

The canonical SMILES for 5-[4-[2-[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1,3-dioxoisoindol-5-yl]-2-azaspiro[3.3]heptan-6-yl]piperazin-1-yl]pyrazine-2-carboxamide is NC(=O)c1cnc(N2CCN(C3CC4(C3)CN(c3cc5c(cc3F)C(=O)N(C3CCC(=O)NC3=O)C5=O)C4)CC2)cn1.

What is the InChIKey of 5-[4-[2-[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1,3-dioxoisoindol-5-yl]-2-azaspiro[3.3]heptan-6-yl]piperazin-1-yl]pyrazine-2-carboxamide?

The InChIKey is KHEOSWYEAXVENP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29FN8O5/c29-18-7-16-17(27(42)37(26(16)41)20-1-2-23(38)33-25(20)40)8-21(18)36-13-28(14-36)9-15(10-28)34-3-5-35(6-4-34)22-12-31-19(11-32-22)24(30)39/h7-8,11-12,15,20H,1-6,9-10,13-14H2,(H2,30,39)(H,33,38,40).

What are the key properties of 5-[4-[2-[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1,3-dioxoisoindol-5-yl]-2-azaspiro[3.3]heptan-6-yl]piperazin-1-yl]pyrazine-2-carboxamide?

5-[4-[2-[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1,3-dioxoisoindol-5-yl]-2-azaspiro[3.3]heptan-6-yl]piperazin-1-yl]pyrazine-2-carboxamide has a molecular weight of 576.59 g/mol, XLogP of -0.09, 5 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-[2-[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1,3-dioxoisoindol-5-yl]-2-azaspiro[3.3]heptan-6-yl]piperazin-1-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 162689621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).