(4Z)-5-(4-fluorophenyl)-4-[hydroxy(1H-indol-3-yl)methylidene]-1-(pyridin-2-ylmethyl)pyrrolidine-2,3-dione

C25H18FN3O3 — CID 108642786

About (4Z)-5-(4-fluorophenyl)-4-[hydroxy(1H-indol-3-yl)methylidene]-1-(pyridin-2-ylmethyl)pyrrolidine-2,3-dione

(4Z)-5-(4-fluorophenyl)-4-[hydroxy(1H-indol-3-yl)methylidene]-1-(pyridin-2-ylmethyl)pyrrolidine-2,3-dione (PubChem CID 108642786) has the molecular formula C25H18FN3O3 and a molecular weight of 427.44 g/mol. Its IUPAC name is (4Z)-5-(4-fluorophenyl)-4-[hydroxy(1H-indol-3-yl)methylidene]-1-(pyridin-2-ylmethyl)pyrrolidine-2,3-dione.

Molecular Properties

• Compound Name: (4Z)-5-(4-fluorophenyl)-4-[hydroxy(1H-indol-3-yl)methylidene]-1-(pyridin-2-ylmethyl)pyrrolidine-2,3-dione
• PubChem CID: 108642786
• Molecular Formula: C25H18FN3O3
• Molecular Weight: 427.44 g/mol
• Exact Mass: 427.13
• IUPAC Name: (4Z)-5-(4-fluorophenyl)-4-[hydroxy(1H-indol-3-yl)methylidene]-1-(pyridin-2-ylmethyl)pyrrolidine-2,3-dione
• SMILES: O=C1C(=O)N(Cc2ccccn2)C(c2ccc(F)cc2)/C1=C(/O)c1c[nH]c2ccccc12
• InChI: InChI=1S/C25H18FN3O3/c26-16-10-8-15(9-11-16)22-21(23(30)19-13-28-20-7-2-1-6-18(19)20)24(31)25(32)29(22)14-17-5-3-4-12-27-17/h1-13,22,28,30H,14H2/b23-21-
• InChIKey: HVKOXYAJUPFCHT-LNVKXUELSA-N
• XLogP: 4.32
• TPSA: 86.29 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	427.44
LogP ≤ 5	4.32
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

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 (4Z)-5-(4-fluorophenyl)-4-[hydroxy(1H-indol-3-yl)methylidene]-1-(pyridin-2-ylmethyl)pyrrolidine-2,3-dione?

The IUPAC name of (4Z)-5-(4-fluorophenyl)-4-[hydroxy(1H-indol-3-yl)methylidene]-1-(pyridin-2-ylmethyl)pyrrolidine-2,3-dione (CID 108642786) is (4Z)-5-(4-fluorophenyl)-4-[hydroxy(1H-indol-3-yl)methylidene]-1-(pyridin-2-ylmethyl)pyrrolidine-2,3-dione.

What is the SMILES notation for (4Z)-5-(4-fluorophenyl)-4-[hydroxy(1H-indol-3-yl)methylidene]-1-(pyridin-2-ylmethyl)pyrrolidine-2,3-dione?

The canonical SMILES for (4Z)-5-(4-fluorophenyl)-4-[hydroxy(1H-indol-3-yl)methylidene]-1-(pyridin-2-ylmethyl)pyrrolidine-2,3-dione is O=C1C(=O)N(Cc2ccccn2)C(c2ccc(F)cc2)/C1=C(/O)c1c[nH]c2ccccc12.

What is the InChIKey of (4Z)-5-(4-fluorophenyl)-4-[hydroxy(1H-indol-3-yl)methylidene]-1-(pyridin-2-ylmethyl)pyrrolidine-2,3-dione?

The InChIKey is HVKOXYAJUPFCHT-LNVKXUELSA-N. The full InChI is InChI=1S/C25H18FN3O3/c26-16-10-8-15(9-11-16)22-21(23(30)19-13-28-20-7-2-1-6-18(19)20)24(31)25(32)29(22)14-17-5-3-4-12-27-17/h1-13,22,28,30H,14H2/b23-21-.

What are the key properties of (4Z)-5-(4-fluorophenyl)-4-[hydroxy(1H-indol-3-yl)methylidene]-1-(pyridin-2-ylmethyl)pyrrolidine-2,3-dione?

(4Z)-5-(4-fluorophenyl)-4-[hydroxy(1H-indol-3-yl)methylidene]-1-(pyridin-2-ylmethyl)pyrrolidine-2,3-dione has a molecular weight of 427.44 g/mol, XLogP of 4.32, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (4Z)-5-(4-fluorophenyl)-4-[hydroxy(1H-indol-3-yl)methylidene]-1-(pyridin-2-ylmethyl)pyrrolidine-2,3-dione is sourced from PubChem (CID 108642786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).