2-[2-[2-[2-(2-methyl-1H-indol-3-yl)acetyl]pyrazolidin-1-yl]-2-oxoethyl]isoindole-1,3-dione

C24H22N4O4 — CID 4994200

About 2-[2-[2-[2-(2-methyl-1H-indol-3-yl)acetyl]pyrazolidin-1-yl]-2-oxoethyl]isoindole-1,3-dione

2-[2-[2-[2-(2-methyl-1H-indol-3-yl)acetyl]pyrazolidin-1-yl]-2-oxoethyl]isoindole-1,3-dione (PubChem CID 4994200) has the molecular formula C24H22N4O4 and a molecular weight of 430.46 g/mol. Its IUPAC name is 2-[2-[2-[2-(2-methyl-1H-indol-3-yl)acetyl]pyrazolidin-1-yl]-2-oxoethyl]isoindole-1,3-dione.

Molecular Properties

• Compound Name: 2-[2-[2-[2-(2-methyl-1H-indol-3-yl)acetyl]pyrazolidin-1-yl]-2-oxoethyl]isoindole-1,3-dione
• PubChem CID: 4994200
• Molecular Formula: C24H22N4O4
• Molecular Weight: 430.46 g/mol
• Exact Mass: 430.16
• IUPAC Name: 2-[2-[2-[2-(2-methyl-1H-indol-3-yl)acetyl]pyrazolidin-1-yl]-2-oxoethyl]isoindole-1,3-dione
• SMILES: Cc1[nH]c2ccccc2c1CC(=O)N1CCCN1C(=O)CN1C(=O)c2ccccc2C1=O
• InChI: InChI=1S/C24H22N4O4/c1-15-19(16-7-4-5-10-20(16)25-15)13-21(29)27-11-6-12-28(27)22(30)14-26-23(31)17-8-2-3-9-18(17)24(26)32/h2-5,7-10,25H,6,11-14H2,1H3
• InChIKey: VGURTTLFMJZWNC-UHFFFAOYSA-N
• XLogP: 2.29
• TPSA: 93.79 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	430.46
LogP ≤ 5	2.29
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[2-(2-methyl-1H-indol-3-yl)acetyl]pyrazolidin-1-yl]-2-oxoethyl]isoindole-1,3-dione?

The IUPAC name of 2-[2-[2-[2-(2-methyl-1H-indol-3-yl)acetyl]pyrazolidin-1-yl]-2-oxoethyl]isoindole-1,3-dione (CID 4994200) is 2-[2-[2-[2-(2-methyl-1H-indol-3-yl)acetyl]pyrazolidin-1-yl]-2-oxoethyl]isoindole-1,3-dione.

What is the SMILES notation for 2-[2-[2-[2-(2-methyl-1H-indol-3-yl)acetyl]pyrazolidin-1-yl]-2-oxoethyl]isoindole-1,3-dione?

The canonical SMILES for 2-[2-[2-[2-(2-methyl-1H-indol-3-yl)acetyl]pyrazolidin-1-yl]-2-oxoethyl]isoindole-1,3-dione is Cc1[nH]c2ccccc2c1CC(=O)N1CCCN1C(=O)CN1C(=O)c2ccccc2C1=O.

What is the InChIKey of 2-[2-[2-[2-(2-methyl-1H-indol-3-yl)acetyl]pyrazolidin-1-yl]-2-oxoethyl]isoindole-1,3-dione?

The InChIKey is VGURTTLFMJZWNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O4/c1-15-19(16-7-4-5-10-20(16)25-15)13-21(29)27-11-6-12-28(27)22(30)14-26-23(31)17-8-2-3-9-18(17)24(26)32/h2-5,7-10,25H,6,11-14H2,1H3.

What are the key properties of 2-[2-[2-[2-(2-methyl-1H-indol-3-yl)acetyl]pyrazolidin-1-yl]-2-oxoethyl]isoindole-1,3-dione?

2-[2-[2-[2-(2-methyl-1H-indol-3-yl)acetyl]pyrazolidin-1-yl]-2-oxoethyl]isoindole-1,3-dione has a molecular weight of 430.46 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[2-[2-(2-methyl-1H-indol-3-yl)acetyl]pyrazolidin-1-yl]-2-oxoethyl]isoindole-1,3-dione is sourced from PubChem (CID 4994200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).