2-oxo-3-[N-[1-[2-(2-oxopyrrolidin-1-yl)acetyl]-2,3-dihydroindol-5-yl]-C-phenylcarbonimidoyl]-1,3-dihydroindole-6-carboxylic acid

C30H26N4O5 — CID 123468618

About 2-oxo-3-[N-[1-[2-(2-oxopyrrolidin-1-yl)acetyl]-2,3-dihydroindol-5-yl]-C-phenylcarbonimidoyl]-1,3-dihydroindole-6-carboxylic acid

2-oxo-3-[N-[1-[2-(2-oxopyrrolidin-1-yl)acetyl]-2,3-dihydroindol-5-yl]-C-phenylcarbonimidoyl]-1,3-dihydroindole-6-carboxylic acid (PubChem CID 123468618) has the molecular formula C30H26N4O5 and a molecular weight of 522.56 g/mol. Its IUPAC name is 2-oxo-3-[N-[1-[2-(2-oxopyrrolidin-1-yl)acetyl]-2,3-dihydroindol-5-yl]-C-phenylcarbonimidoyl]-1,3-dihydroindole-6-carboxylic acid.

Molecular Properties

• Compound Name: 2-oxo-3-[N-[1-[2-(2-oxopyrrolidin-1-yl)acetyl]-2,3-dihydroindol-5-yl]-C-phenylcarbonimidoyl]-1,3-dihydroindole-6-carboxylic acid
• PubChem CID: 123468618
• Molecular Formula: C30H26N4O5
• Molecular Weight: 522.56 g/mol
• Exact Mass: 522.19
• IUPAC Name: 2-oxo-3-[N-[1-[2-(2-oxopyrrolidin-1-yl)acetyl]-2,3-dihydroindol-5-yl]-C-phenylcarbonimidoyl]-1,3-dihydroindole-6-carboxylic acid
• SMILES: O=C(O)c1ccc2c(c1)NC(=O)C2/C(=N/c1ccc2c(c1)CCN2C(=O)CN1CCCC1=O)c1ccccc1
• InChI: InChI=1S/C30H26N4O5/c35-25-7-4-13-33(25)17-26(36)34-14-12-19-15-21(9-11-24(19)34)31-28(18-5-2-1-3-6-18)27-22-10-8-20(30(38)39)16-23(22)32-29(27)37/h1-3,5-6,8-11,15-16,27H,4,7,12-14,17H2,(H,32,37)(H,38,39)/b31-28+
• InChIKey: KEAGDIVDLTUMEO-CCFHIKDMSA-N
• XLogP: 3.75
• TPSA: 119.38 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	522.56
LogP ≤ 5	3.75
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-oxo-3-[N-[1-[2-(2-oxopyrrolidin-1-yl)acetyl]-2,3-dihydroindol-5-yl]-C-phenylcarbonimidoyl]-1,3-dihydroindole-6-carboxylic acid?

The IUPAC name of 2-oxo-3-[N-[1-[2-(2-oxopyrrolidin-1-yl)acetyl]-2,3-dihydroindol-5-yl]-C-phenylcarbonimidoyl]-1,3-dihydroindole-6-carboxylic acid (CID 123468618) is 2-oxo-3-[N-[1-[2-(2-oxopyrrolidin-1-yl)acetyl]-2,3-dihydroindol-5-yl]-C-phenylcarbonimidoyl]-1,3-dihydroindole-6-carboxylic acid.

What is the SMILES notation for 2-oxo-3-[N-[1-[2-(2-oxopyrrolidin-1-yl)acetyl]-2,3-dihydroindol-5-yl]-C-phenylcarbonimidoyl]-1,3-dihydroindole-6-carboxylic acid?

The canonical SMILES for 2-oxo-3-[N-[1-[2-(2-oxopyrrolidin-1-yl)acetyl]-2,3-dihydroindol-5-yl]-C-phenylcarbonimidoyl]-1,3-dihydroindole-6-carboxylic acid is O=C(O)c1ccc2c(c1)NC(=O)C2/C(=N/c1ccc2c(c1)CCN2C(=O)CN1CCCC1=O)c1ccccc1.

What is the InChIKey of 2-oxo-3-[N-[1-[2-(2-oxopyrrolidin-1-yl)acetyl]-2,3-dihydroindol-5-yl]-C-phenylcarbonimidoyl]-1,3-dihydroindole-6-carboxylic acid?

The InChIKey is KEAGDIVDLTUMEO-CCFHIKDMSA-N. The full InChI is InChI=1S/C30H26N4O5/c35-25-7-4-13-33(25)17-26(36)34-14-12-19-15-21(9-11-24(19)34)31-28(18-5-2-1-3-6-18)27-22-10-8-20(30(38)39)16-23(22)32-29(27)37/h1-3,5-6,8-11,15-16,27H,4,7,12-14,17H2,(H,32,37)(H,38,39)/b31-28+.

What are the key properties of 2-oxo-3-[N-[1-[2-(2-oxopyrrolidin-1-yl)acetyl]-2,3-dihydroindol-5-yl]-C-phenylcarbonimidoyl]-1,3-dihydroindole-6-carboxylic acid?

2-oxo-3-[N-[1-[2-(2-oxopyrrolidin-1-yl)acetyl]-2,3-dihydroindol-5-yl]-C-phenylcarbonimidoyl]-1,3-dihydroindole-6-carboxylic acid has a molecular weight of 522.56 g/mol, XLogP of 3.75, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-oxo-3-[N-[1-[2-(2-oxopyrrolidin-1-yl)acetyl]-2,3-dihydroindol-5-yl]-C-phenylcarbonimidoyl]-1,3-dihydroindole-6-carboxylic acid is sourced from PubChem (CID 123468618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).