2-[(2R,3E)-2-(2-fluorophenyl)-3-[hydroxy-(2-methylimidazo[1,2-a]pyridin-3-yl)methylidene]-4,5-dioxopyrrolidin-1-yl]ethyl-dimethylazanium

C23H24FN4O3+ — CID 7182721

About 2-[(2R,3E)-2-(2-fluorophenyl)-3-[hydroxy-(2-methylimidazo[1,2-a]pyridin-3-yl)methylidene]-4,5-dioxopyrrolidin-1-yl]ethyl-dimethylazanium

2-[(2R,3E)-2-(2-fluorophenyl)-3-[hydroxy-(2-methylimidazo[1,2-a]pyridin-3-yl)methylidene]-4,5-dioxopyrrolidin-1-yl]ethyl-dimethylazanium (PubChem CID 7182721) has the molecular formula C23H24FN4O3+ and a molecular weight of 423.47 g/mol. Its IUPAC name is 2-[(2R,3E)-2-(2-fluorophenyl)-3-[hydroxy-(2-methylimidazo[1,2-a]pyridin-3-yl)methylidene]-4,5-dioxopyrrolidin-1-yl]ethyl-dimethylazanium.

Molecular Properties

• Compound Name: 2-[(2R,3E)-2-(2-fluorophenyl)-3-[hydroxy-(2-methylimidazo[1,2-a]pyridin-3-yl)methylidene]-4,5-dioxopyrrolidin-1-yl]ethyl-dimethylazanium
• PubChem CID: 7182721
• Molecular Formula: C23H24FN4O3+
• Molecular Weight: 423.47 g/mol
• Exact Mass: 423.18
• IUPAC Name: 2-[(2R,3E)-2-(2-fluorophenyl)-3-[hydroxy-(2-methylimidazo[1,2-a]pyridin-3-yl)methylidene]-4,5-dioxopyrrolidin-1-yl]ethyl-dimethylazanium
• SMILES: Cc1nc2ccccn2c1/C(O)=C1\C(=O)C(=O)N(CC[NH+](C)C)[C@H]1c1ccccc1F
• InChI: InChI=1S/C23H23FN4O3/c1-14-19(27-11-7-6-10-17(27)25-14)21(29)18-20(15-8-4-5-9-16(15)24)28(13-12-26(2)3)23(31)22(18)30/h4-11,20,29H,12-13H2,1-3H3/p+1/b21-18+/t20-/m0/s1
• InChIKey: HWTVGXOWXSUWTH-ASBZNUFUSA-O
• XLogP: 1.35
• TPSA: 79.35 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	423.47
LogP ≤ 5	1.35
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[(2R,3E)-2-(2-fluorophenyl)-3-[hydroxy-(2-methylimidazo[1,2-a]pyridin-3-yl)methylidene]-4,5-dioxopyrrolidin-1-yl]ethyl-dimethylazanium?

The IUPAC name of 2-[(2R,3E)-2-(2-fluorophenyl)-3-[hydroxy-(2-methylimidazo[1,2-a]pyridin-3-yl)methylidene]-4,5-dioxopyrrolidin-1-yl]ethyl-dimethylazanium (CID 7182721) is 2-[(2R,3E)-2-(2-fluorophenyl)-3-[hydroxy-(2-methylimidazo[1,2-a]pyridin-3-yl)methylidene]-4,5-dioxopyrrolidin-1-yl]ethyl-dimethylazanium.

What is the SMILES notation for 2-[(2R,3E)-2-(2-fluorophenyl)-3-[hydroxy-(2-methylimidazo[1,2-a]pyridin-3-yl)methylidene]-4,5-dioxopyrrolidin-1-yl]ethyl-dimethylazanium?

The canonical SMILES for 2-[(2R,3E)-2-(2-fluorophenyl)-3-[hydroxy-(2-methylimidazo[1,2-a]pyridin-3-yl)methylidene]-4,5-dioxopyrrolidin-1-yl]ethyl-dimethylazanium is Cc1nc2ccccn2c1/C(O)=C1\C(=O)C(=O)N(CC[NH+](C)C)[C@H]1c1ccccc1F.

What is the InChIKey of 2-[(2R,3E)-2-(2-fluorophenyl)-3-[hydroxy-(2-methylimidazo[1,2-a]pyridin-3-yl)methylidene]-4,5-dioxopyrrolidin-1-yl]ethyl-dimethylazanium?

The InChIKey is HWTVGXOWXSUWTH-ASBZNUFUSA-O. The full InChI is InChI=1S/C23H23FN4O3/c1-14-19(27-11-7-6-10-17(27)25-14)21(29)18-20(15-8-4-5-9-16(15)24)28(13-12-26(2)3)23(31)22(18)30/h4-11,20,29H,12-13H2,1-3H3/p+1/b21-18+/t20-/m0/s1.

What are the key properties of 2-[(2R,3E)-2-(2-fluorophenyl)-3-[hydroxy-(2-methylimidazo[1,2-a]pyridin-3-yl)methylidene]-4,5-dioxopyrrolidin-1-yl]ethyl-dimethylazanium?

2-[(2R,3E)-2-(2-fluorophenyl)-3-[hydroxy-(2-methylimidazo[1,2-a]pyridin-3-yl)methylidene]-4,5-dioxopyrrolidin-1-yl]ethyl-dimethylazanium has a molecular weight of 423.47 g/mol, XLogP of 1.35, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(2R,3E)-2-(2-fluorophenyl)-3-[hydroxy-(2-methylimidazo[1,2-a]pyridin-3-yl)methylidene]-4,5-dioxopyrrolidin-1-yl]ethyl-dimethylazanium is sourced from PubChem (CID 7182721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).