6-[4-[[4-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]ethyl]-2-fluorophenyl]methyl]piperazin-1-yl]pyridine-2-carboxamide

C32H31FN6O5 — CID 160720905

About 6-[4-[[4-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]ethyl]-2-fluorophenyl]methyl]piperazin-1-yl]pyridine-2-carboxamide

6-[4-[[4-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]ethyl]-2-fluorophenyl]methyl]piperazin-1-yl]pyridine-2-carboxamide (PubChem CID 160720905) has the molecular formula C32H31FN6O5 and a molecular weight of 598.64 g/mol. Its IUPAC name is 6-[4-[[4-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]ethyl]-2-fluorophenyl]methyl]piperazin-1-yl]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 6-[4-[[4-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]ethyl]-2-fluorophenyl]methyl]piperazin-1-yl]pyridine-2-carboxamide
• PubChem CID: 160720905
• Molecular Formula: C32H31FN6O5
• Molecular Weight: 598.64 g/mol
• Exact Mass: 598.23
• IUPAC Name: 6-[4-[[4-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]ethyl]-2-fluorophenyl]methyl]piperazin-1-yl]pyridine-2-carboxamide
• SMILES: NC(=O)c1cccc(N2CCN(Cc3ccc(CCc4cccc5c4C(=O)N(C4CCC(=O)NC4=O)C5=O)cc3F)CC2)n1
• InChI: InChI=1S/C32H31FN6O5/c33-23-17-19(8-10-21(23)18-37-13-15-38(16-14-37)26-6-2-5-24(35-26)29(34)41)7-9-20-3-1-4-22-28(20)32(44)39(31(22)43)25-11-12-27(40)36-30(25)42/h1-6,8,10,17,25H,7,9,11-16,18H2,(H2,34,41)(H,36,40,42)
• InChIKey: RTBXKLUCNWOKIO-UHFFFAOYSA-N
• XLogP: 1.83
• TPSA: 146.01 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	598.64
LogP ≤ 5	1.83
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-[4-[[4-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]ethyl]-2-fluorophenyl]methyl]piperazin-1-yl]pyridine-2-carboxamide?

The IUPAC name of 6-[4-[[4-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]ethyl]-2-fluorophenyl]methyl]piperazin-1-yl]pyridine-2-carboxamide (CID 160720905) is 6-[4-[[4-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]ethyl]-2-fluorophenyl]methyl]piperazin-1-yl]pyridine-2-carboxamide.

What is the SMILES notation for 6-[4-[[4-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]ethyl]-2-fluorophenyl]methyl]piperazin-1-yl]pyridine-2-carboxamide?

The canonical SMILES for 6-[4-[[4-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]ethyl]-2-fluorophenyl]methyl]piperazin-1-yl]pyridine-2-carboxamide is NC(=O)c1cccc(N2CCN(Cc3ccc(CCc4cccc5c4C(=O)N(C4CCC(=O)NC4=O)C5=O)cc3F)CC2)n1.

What is the InChIKey of 6-[4-[[4-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]ethyl]-2-fluorophenyl]methyl]piperazin-1-yl]pyridine-2-carboxamide?

The InChIKey is RTBXKLUCNWOKIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H31FN6O5/c33-23-17-19(8-10-21(23)18-37-13-15-38(16-14-37)26-6-2-5-24(35-26)29(34)41)7-9-20-3-1-4-22-28(20)32(44)39(31(22)43)25-11-12-27(40)36-30(25)42/h1-6,8,10,17,25H,7,9,11-16,18H2,(H2,34,41)(H,36,40,42).

What are the key properties of 6-[4-[[4-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]ethyl]-2-fluorophenyl]methyl]piperazin-1-yl]pyridine-2-carboxamide?

6-[4-[[4-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]ethyl]-2-fluorophenyl]methyl]piperazin-1-yl]pyridine-2-carboxamide has a molecular weight of 598.64 g/mol, XLogP of 1.83, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[4-[[4-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]ethyl]-2-fluorophenyl]methyl]piperazin-1-yl]pyridine-2-carboxamide is sourced from PubChem (CID 160720905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).