3-[1-[3-(dimethylamino)propyl]indol-3-yl]-4-[1-[3-(dimethylamino)propyl]-5-methoxyindol-3-yl]pyrrole-2,5-dione

C31H37N5O3 — CID 25028895

About 3-[1-[3-(dimethylamino)propyl]indol-3-yl]-4-[1-[3-(dimethylamino)propyl]-5-methoxyindol-3-yl]pyrrole-2,5-dione

3-[1-[3-(dimethylamino)propyl]indol-3-yl]-4-[1-[3-(dimethylamino)propyl]-5-methoxyindol-3-yl]pyrrole-2,5-dione (PubChem CID 25028895) has the molecular formula C31H37N5O3 and a molecular weight of 527.67 g/mol. Its IUPAC name is 3-[1-[3-(dimethylamino)propyl]indol-3-yl]-4-[1-[3-(dimethylamino)propyl]-5-methoxyindol-3-yl]pyrrole-2,5-dione.

Molecular Properties

• Compound Name: 3-[1-[3-(dimethylamino)propyl]indol-3-yl]-4-[1-[3-(dimethylamino)propyl]-5-methoxyindol-3-yl]pyrrole-2,5-dione
• PubChem CID: 25028895
• Molecular Formula: C31H37N5O3
• Molecular Weight: 527.67 g/mol
• Exact Mass: 527.29
• IUPAC Name: 3-[1-[3-(dimethylamino)propyl]indol-3-yl]-4-[1-[3-(dimethylamino)propyl]-5-methoxyindol-3-yl]pyrrole-2,5-dione
• SMILES: COc1ccc2c(c1)c(C1=C(c3cn(CCCN(C)C)c4ccccc34)C(=O)NC1=O)cn2CCCN(C)C
• InChI: InChI=1S/C31H37N5O3/c1-33(2)14-8-16-35-19-24(22-10-6-7-11-26(22)35)28-29(31(38)32-30(28)37)25-20-36(17-9-15-34(3)4)27-13-12-21(39-5)18-23(25)27/h6-7,10-13,18-20H,8-9,14-17H2,1-5H3,(H,32,37,38)
• InChIKey: XOFGXKPXEXHVRY-UHFFFAOYSA-N
• XLogP: 4.08
• TPSA: 71.74 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 11
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	527.67
LogP ≤ 5	4.08
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[1-[3-(dimethylamino)propyl]indol-3-yl]-4-[1-[3-(dimethylamino)propyl]-5-methoxyindol-3-yl]pyrrole-2,5-dione?

The IUPAC name of 3-[1-[3-(dimethylamino)propyl]indol-3-yl]-4-[1-[3-(dimethylamino)propyl]-5-methoxyindol-3-yl]pyrrole-2,5-dione (CID 25028895) is 3-[1-[3-(dimethylamino)propyl]indol-3-yl]-4-[1-[3-(dimethylamino)propyl]-5-methoxyindol-3-yl]pyrrole-2,5-dione.

What is the SMILES notation for 3-[1-[3-(dimethylamino)propyl]indol-3-yl]-4-[1-[3-(dimethylamino)propyl]-5-methoxyindol-3-yl]pyrrole-2,5-dione?

The canonical SMILES for 3-[1-[3-(dimethylamino)propyl]indol-3-yl]-4-[1-[3-(dimethylamino)propyl]-5-methoxyindol-3-yl]pyrrole-2,5-dione is COc1ccc2c(c1)c(C1=C(c3cn(CCCN(C)C)c4ccccc34)C(=O)NC1=O)cn2CCCN(C)C.

What is the InChIKey of 3-[1-[3-(dimethylamino)propyl]indol-3-yl]-4-[1-[3-(dimethylamino)propyl]-5-methoxyindol-3-yl]pyrrole-2,5-dione?

The InChIKey is XOFGXKPXEXHVRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H37N5O3/c1-33(2)14-8-16-35-19-24(22-10-6-7-11-26(22)35)28-29(31(38)32-30(28)37)25-20-36(17-9-15-34(3)4)27-13-12-21(39-5)18-23(25)27/h6-7,10-13,18-20H,8-9,14-17H2,1-5H3,(H,32,37,38).

What are the key properties of 3-[1-[3-(dimethylamino)propyl]indol-3-yl]-4-[1-[3-(dimethylamino)propyl]-5-methoxyindol-3-yl]pyrrole-2,5-dione?

3-[1-[3-(dimethylamino)propyl]indol-3-yl]-4-[1-[3-(dimethylamino)propyl]-5-methoxyindol-3-yl]pyrrole-2,5-dione has a molecular weight of 527.67 g/mol, XLogP of 4.08, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[1-[3-(dimethylamino)propyl]indol-3-yl]-4-[1-[3-(dimethylamino)propyl]-5-methoxyindol-3-yl]pyrrole-2,5-dione is sourced from PubChem (CID 25028895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).