5-[[4-[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1-oxo-3H-isoindol-5-yl]piperazin-1-yl]methyl]pyridine-3-carbonitrile

C24H23FN6O3 — CID 169311306

About 5-[[4-[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1-oxo-3H-isoindol-5-yl]piperazin-1-yl]methyl]pyridine-3-carbonitrile

5-[[4-[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1-oxo-3H-isoindol-5-yl]piperazin-1-yl]methyl]pyridine-3-carbonitrile (PubChem CID 169311306) has the molecular formula C24H23FN6O3 and a molecular weight of 462.49 g/mol. Its IUPAC name is 5-[[4-[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1-oxo-3H-isoindol-5-yl]piperazin-1-yl]methyl]pyridine-3-carbonitrile.

Molecular Properties

• Compound Name: 5-[[4-[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1-oxo-3H-isoindol-5-yl]piperazin-1-yl]methyl]pyridine-3-carbonitrile
• PubChem CID: 169311306
• Molecular Formula: C24H23FN6O3
• Molecular Weight: 462.49 g/mol
• Exact Mass: 462.18
• IUPAC Name: 5-[[4-[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1-oxo-3H-isoindol-5-yl]piperazin-1-yl]methyl]pyridine-3-carbonitrile
• SMILES: N#Cc1cncc(CN2CCN(c3cc4c(cc3F)C(=O)N(C3CCC(=O)NC3=O)C4)CC2)c1
• InChI: InChI=1S/C24H23FN6O3/c25-19-9-18-17(14-31(24(18)34)20-1-2-22(32)28-23(20)33)8-21(19)30-5-3-29(4-6-30)13-16-7-15(10-26)11-27-12-16/h7-9,11-12,20H,1-6,13-14H2,(H,28,32,33)
• InChIKey: IJRCKDSZKZZAEJ-UHFFFAOYSA-N
• XLogP: 1.18
• TPSA: 109.64 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	462.49
LogP ≤ 5	1.18
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[[4-[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1-oxo-3H-isoindol-5-yl]piperazin-1-yl]methyl]pyridine-3-carbonitrile?

The IUPAC name of 5-[[4-[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1-oxo-3H-isoindol-5-yl]piperazin-1-yl]methyl]pyridine-3-carbonitrile (CID 169311306) is 5-[[4-[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1-oxo-3H-isoindol-5-yl]piperazin-1-yl]methyl]pyridine-3-carbonitrile.

What is the SMILES notation for 5-[[4-[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1-oxo-3H-isoindol-5-yl]piperazin-1-yl]methyl]pyridine-3-carbonitrile?

The canonical SMILES for 5-[[4-[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1-oxo-3H-isoindol-5-yl]piperazin-1-yl]methyl]pyridine-3-carbonitrile is N#Cc1cncc(CN2CCN(c3cc4c(cc3F)C(=O)N(C3CCC(=O)NC3=O)C4)CC2)c1.

What is the InChIKey of 5-[[4-[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1-oxo-3H-isoindol-5-yl]piperazin-1-yl]methyl]pyridine-3-carbonitrile?

The InChIKey is IJRCKDSZKZZAEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN6O3/c25-19-9-18-17(14-31(24(18)34)20-1-2-22(32)28-23(20)33)8-21(19)30-5-3-29(4-6-30)13-16-7-15(10-26)11-27-12-16/h7-9,11-12,20H,1-6,13-14H2,(H,28,32,33).

What are the key properties of 5-[[4-[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1-oxo-3H-isoindol-5-yl]piperazin-1-yl]methyl]pyridine-3-carbonitrile?

5-[[4-[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1-oxo-3H-isoindol-5-yl]piperazin-1-yl]methyl]pyridine-3-carbonitrile has a molecular weight of 462.49 g/mol, XLogP of 1.18, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[4-[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1-oxo-3H-isoindol-5-yl]piperazin-1-yl]methyl]pyridine-3-carbonitrile is sourced from PubChem (CID 169311306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).