3-[5-fluoro-7-[1-[(7-methylimidazo[1,2-a]pyridin-3-yl)methyl]piperidin-4-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

C27H28FN5O3 — CID 169311501

About 3-[5-fluoro-7-[1-[(7-methylimidazo[1,2-a]pyridin-3-yl)methyl]piperidin-4-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

3-[5-fluoro-7-[1-[(7-methylimidazo[1,2-a]pyridin-3-yl)methyl]piperidin-4-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (PubChem CID 169311501) has the molecular formula C27H28FN5O3 and a molecular weight of 489.55 g/mol. Its IUPAC name is 3-[5-fluoro-7-[1-[(7-methylimidazo[1,2-a]pyridin-3-yl)methyl]piperidin-4-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.

Molecular Properties

• Compound Name: 3-[5-fluoro-7-[1-[(7-methylimidazo[1,2-a]pyridin-3-yl)methyl]piperidin-4-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
• PubChem CID: 169311501
• Molecular Formula: C27H28FN5O3
• Molecular Weight: 489.55 g/mol
• Exact Mass: 489.22
• IUPAC Name: 3-[5-fluoro-7-[1-[(7-methylimidazo[1,2-a]pyridin-3-yl)methyl]piperidin-4-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
• SMILES: Cc1ccn2c(CN3CCC(c4cc(F)cc5c4CN(C4CCC(=O)NC4=O)C5=O)CC3)cnc2c1
• InChI: InChI=1S/C27H28FN5O3/c1-16-4-9-32-19(13-29-24(32)10-16)14-31-7-5-17(6-8-31)20-11-18(28)12-21-22(20)15-33(27(21)36)23-2-3-25(34)30-26(23)35/h4,9-13,17,23H,2-3,5-8,14-15H2,1H3,(H,30,34,35)
• InChIKey: BPUHRDSPTDZSKU-UHFFFAOYSA-N
• XLogP: 2.92
• TPSA: 87.02 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	489.55
LogP ≤ 5	2.92
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[5-fluoro-7-[1-[(7-methylimidazo[1,2-a]pyridin-3-yl)methyl]piperidin-4-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?

The IUPAC name of 3-[5-fluoro-7-[1-[(7-methylimidazo[1,2-a]pyridin-3-yl)methyl]piperidin-4-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (CID 169311501) is 3-[5-fluoro-7-[1-[(7-methylimidazo[1,2-a]pyridin-3-yl)methyl]piperidin-4-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.

What is the SMILES notation for 3-[5-fluoro-7-[1-[(7-methylimidazo[1,2-a]pyridin-3-yl)methyl]piperidin-4-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?

The canonical SMILES for 3-[5-fluoro-7-[1-[(7-methylimidazo[1,2-a]pyridin-3-yl)methyl]piperidin-4-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is Cc1ccn2c(CN3CCC(c4cc(F)cc5c4CN(C4CCC(=O)NC4=O)C5=O)CC3)cnc2c1.

What is the InChIKey of 3-[5-fluoro-7-[1-[(7-methylimidazo[1,2-a]pyridin-3-yl)methyl]piperidin-4-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?

The InChIKey is BPUHRDSPTDZSKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28FN5O3/c1-16-4-9-32-19(13-29-24(32)10-16)14-31-7-5-17(6-8-31)20-11-18(28)12-21-22(20)15-33(27(21)36)23-2-3-25(34)30-26(23)35/h4,9-13,17,23H,2-3,5-8,14-15H2,1H3,(H,30,34,35).

What are the key properties of 3-[5-fluoro-7-[1-[(7-methylimidazo[1,2-a]pyridin-3-yl)methyl]piperidin-4-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?

3-[5-fluoro-7-[1-[(7-methylimidazo[1,2-a]pyridin-3-yl)methyl]piperidin-4-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione has a molecular weight of 489.55 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[5-fluoro-7-[1-[(7-methylimidazo[1,2-a]pyridin-3-yl)methyl]piperidin-4-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is sourced from PubChem (CID 169311501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).