3-(2,3-dihydroindol-1-yl)-4-(4-methoxyphenyl)-1-(pyridin-2-ylmethyl)pyrrole-2,5-dione

C25H21N3O3 — CID 110556081

About 3-(2,3-dihydroindol-1-yl)-4-(4-methoxyphenyl)-1-(pyridin-2-ylmethyl)pyrrole-2,5-dione

3-(2,3-dihydroindol-1-yl)-4-(4-methoxyphenyl)-1-(pyridin-2-ylmethyl)pyrrole-2,5-dione (PubChem CID 110556081) has the molecular formula C25H21N3O3 and a molecular weight of 411.46 g/mol. Its IUPAC name is 3-(2,3-dihydroindol-1-yl)-4-(4-methoxyphenyl)-1-(pyridin-2-ylmethyl)pyrrole-2,5-dione.

Molecular Properties

• Compound Name: 3-(2,3-dihydroindol-1-yl)-4-(4-methoxyphenyl)-1-(pyridin-2-ylmethyl)pyrrole-2,5-dione
• PubChem CID: 110556081
• Molecular Formula: C25H21N3O3
• Molecular Weight: 411.46 g/mol
• Exact Mass: 411.16
• IUPAC Name: 3-(2,3-dihydroindol-1-yl)-4-(4-methoxyphenyl)-1-(pyridin-2-ylmethyl)pyrrole-2,5-dione
• SMILES: COc1ccc(C2=C(N3CCc4ccccc43)C(=O)N(Cc3ccccn3)C2=O)cc1
• InChI: InChI=1S/C25H21N3O3/c1-31-20-11-9-18(10-12-20)22-23(27-15-13-17-6-2-3-8-21(17)27)25(30)28(24(22)29)16-19-7-4-5-14-26-19/h2-12,14H,13,15-16H2,1H3
• InChIKey: HARRVMGILKDTBS-UHFFFAOYSA-N
• XLogP: 3.43
• TPSA: 62.74 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	411.46
LogP ≤ 5	3.43
H-Bond Donors ≤ 5	0
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 3-(2,3-dihydroindol-1-yl)-4-(4-methoxyphenyl)-1-(pyridin-2-ylmethyl)pyrrole-2,5-dione?

The IUPAC name of 3-(2,3-dihydroindol-1-yl)-4-(4-methoxyphenyl)-1-(pyridin-2-ylmethyl)pyrrole-2,5-dione (CID 110556081) is 3-(2,3-dihydroindol-1-yl)-4-(4-methoxyphenyl)-1-(pyridin-2-ylmethyl)pyrrole-2,5-dione.

What is the SMILES notation for 3-(2,3-dihydroindol-1-yl)-4-(4-methoxyphenyl)-1-(pyridin-2-ylmethyl)pyrrole-2,5-dione?

The canonical SMILES for 3-(2,3-dihydroindol-1-yl)-4-(4-methoxyphenyl)-1-(pyridin-2-ylmethyl)pyrrole-2,5-dione is COc1ccc(C2=C(N3CCc4ccccc43)C(=O)N(Cc3ccccn3)C2=O)cc1.

What is the InChIKey of 3-(2,3-dihydroindol-1-yl)-4-(4-methoxyphenyl)-1-(pyridin-2-ylmethyl)pyrrole-2,5-dione?

The InChIKey is HARRVMGILKDTBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N3O3/c1-31-20-11-9-18(10-12-20)22-23(27-15-13-17-6-2-3-8-21(17)27)25(30)28(24(22)29)16-19-7-4-5-14-26-19/h2-12,14H,13,15-16H2,1H3.

What are the key properties of 3-(2,3-dihydroindol-1-yl)-4-(4-methoxyphenyl)-1-(pyridin-2-ylmethyl)pyrrole-2,5-dione?

3-(2,3-dihydroindol-1-yl)-4-(4-methoxyphenyl)-1-(pyridin-2-ylmethyl)pyrrole-2,5-dione has a molecular weight of 411.46 g/mol, XLogP of 3.43, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(2,3-dihydroindol-1-yl)-4-(4-methoxyphenyl)-1-(pyridin-2-ylmethyl)pyrrole-2,5-dione is sourced from PubChem (CID 110556081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).