5'-fluoro-1-(1H-indol-3-ylmethyl)-5-(2-methoxyethyl)spiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,3'-1H-indole]-2',4,6-trione

C25H23FN4O4 — CID 4970399

About 5'-fluoro-1-(1H-indol-3-ylmethyl)-5-(2-methoxyethyl)spiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,3'-1H-indole]-2',4,6-trione

5'-fluoro-1-(1H-indol-3-ylmethyl)-5-(2-methoxyethyl)spiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,3'-1H-indole]-2',4,6-trione (PubChem CID 4970399) has the molecular formula C25H23FN4O4 and a molecular weight of 462.48 g/mol. Its IUPAC name is 5'-fluoro-1-(1H-indol-3-ylmethyl)-5-(2-methoxyethyl)spiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,3'-1H-indole]-2',4,6-trione.

Molecular Properties

• Compound Name: 5'-fluoro-1-(1H-indol-3-ylmethyl)-5-(2-methoxyethyl)spiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,3'-1H-indole]-2',4,6-trione
• PubChem CID: 4970399
• Molecular Formula: C25H23FN4O4
• Molecular Weight: 462.48 g/mol
• Exact Mass: 462.17
• IUPAC Name: 5'-fluoro-1-(1H-indol-3-ylmethyl)-5-(2-methoxyethyl)spiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,3'-1H-indole]-2',4,6-trione
• SMILES: COCCN1C(=O)C2C(Cc3c[nH]c4ccccc34)NC3(C(=O)Nc4ccc(F)cc43)C2C1=O
• InChI: InChI=1S/C25H23FN4O4/c1-34-9-8-30-22(31)20-19(10-13-12-27-17-5-3-2-4-15(13)17)29-25(21(20)23(30)32)16-11-14(26)6-7-18(16)28-24(25)33/h2-7,11-12,19-21,27,29H,8-10H2,1H3,(H,28,33)
• InChIKey: GEKOQHMRFTZDPZ-UHFFFAOYSA-N
• XLogP: 1.92
• TPSA: 103.53 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	462.48
LogP ≤ 5	1.92
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5'-fluoro-1-(1H-indol-3-ylmethyl)-5-(2-methoxyethyl)spiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,3'-1H-indole]-2',4,6-trione?

The IUPAC name of 5'-fluoro-1-(1H-indol-3-ylmethyl)-5-(2-methoxyethyl)spiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,3'-1H-indole]-2',4,6-trione (CID 4970399) is 5'-fluoro-1-(1H-indol-3-ylmethyl)-5-(2-methoxyethyl)spiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,3'-1H-indole]-2',4,6-trione.

What is the SMILES notation for 5'-fluoro-1-(1H-indol-3-ylmethyl)-5-(2-methoxyethyl)spiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,3'-1H-indole]-2',4,6-trione?

The canonical SMILES for 5'-fluoro-1-(1H-indol-3-ylmethyl)-5-(2-methoxyethyl)spiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,3'-1H-indole]-2',4,6-trione is COCCN1C(=O)C2C(Cc3c[nH]c4ccccc34)NC3(C(=O)Nc4ccc(F)cc43)C2C1=O.

What is the InChIKey of 5'-fluoro-1-(1H-indol-3-ylmethyl)-5-(2-methoxyethyl)spiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,3'-1H-indole]-2',4,6-trione?

The InChIKey is GEKOQHMRFTZDPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN4O4/c1-34-9-8-30-22(31)20-19(10-13-12-27-17-5-3-2-4-15(13)17)29-25(21(20)23(30)32)16-11-14(26)6-7-18(16)28-24(25)33/h2-7,11-12,19-21,27,29H,8-10H2,1H3,(H,28,33).

What are the key properties of 5'-fluoro-1-(1H-indol-3-ylmethyl)-5-(2-methoxyethyl)spiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,3'-1H-indole]-2',4,6-trione?

5'-fluoro-1-(1H-indol-3-ylmethyl)-5-(2-methoxyethyl)spiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,3'-1H-indole]-2',4,6-trione has a molecular weight of 462.48 g/mol, XLogP of 1.92, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5'-fluoro-1-(1H-indol-3-ylmethyl)-5-(2-methoxyethyl)spiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,3'-1H-indole]-2',4,6-trione is sourced from PubChem (CID 4970399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).