2-(5-fluoro-1H-indol-3-yl)-N-[3-[3-[3-[4-[3-(methylamino)propylamino]butylamino]propylamino]propylamino]propyl]acetamide

C27H48FN7O — CID 54519508

About 2-(5-fluoro-1H-indol-3-yl)-N-[3-[3-[3-[4-[3-(methylamino)propylamino]butylamino]propylamino]propylamino]propyl]acetamide

2-(5-fluoro-1H-indol-3-yl)-N-[3-[3-[3-[4-[3-(methylamino)propylamino]butylamino]propylamino]propylamino]propyl]acetamide (PubChem CID 54519508) has the molecular formula C27H48FN7O and a molecular weight of 505.73 g/mol. Its IUPAC name is 2-(5-fluoro-1H-indol-3-yl)-N-[3-[3-[3-[4-[3-(methylamino)propylamino]butylamino]propylamino]propylamino]propyl]acetamide.

Molecular Properties

• Compound Name: 2-(5-fluoro-1H-indol-3-yl)-N-[3-[3-[3-[4-[3-(methylamino)propylamino]butylamino]propylamino]propylamino]propyl]acetamide
• PubChem CID: 54519508
• Molecular Formula: C27H48FN7O
• Molecular Weight: 505.73 g/mol
• Exact Mass: 505.39
• IUPAC Name: 2-(5-fluoro-1H-indol-3-yl)-N-[3-[3-[3-[4-[3-(methylamino)propylamino]butylamino]propylamino]propylamino]propyl]acetamide
• SMILES: CNCCCNCCCCNCCCNCCCNCCCNC(=O)Cc1c[nH]c2ccc(F)cc12
• InChI: InChI=1S/C27H48FN7O/c1-29-10-4-13-30-11-2-3-12-31-14-5-15-32-16-6-17-33-18-7-19-34-27(36)20-23-22-35-26-9-8-24(28)21-25(23)26/h8-9,21-22,29-33,35H,2-7,10-20H2,1H3,(H,34,36)
• InChIKey: YOTYDTXUWCWHBF-UHFFFAOYSA-N
• XLogP: 1.88
• TPSA: 105.04 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 6
• Rotatable Bonds: 23
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	505.73
LogP ≤ 5	1.88
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-1H-indol-3-yl)-N-[3-[3-[3-[4-[3-(methylamino)propylamino]butylamino]propylamino]propylamino]propyl]acetamide?

The IUPAC name of 2-(5-fluoro-1H-indol-3-yl)-N-[3-[3-[3-[4-[3-(methylamino)propylamino]butylamino]propylamino]propylamino]propyl]acetamide (CID 54519508) is 2-(5-fluoro-1H-indol-3-yl)-N-[3-[3-[3-[4-[3-(methylamino)propylamino]butylamino]propylamino]propylamino]propyl]acetamide.

What is the SMILES notation for 2-(5-fluoro-1H-indol-3-yl)-N-[3-[3-[3-[4-[3-(methylamino)propylamino]butylamino]propylamino]propylamino]propyl]acetamide?

The canonical SMILES for 2-(5-fluoro-1H-indol-3-yl)-N-[3-[3-[3-[4-[3-(methylamino)propylamino]butylamino]propylamino]propylamino]propyl]acetamide is CNCCCNCCCCNCCCNCCCNCCCNC(=O)Cc1c[nH]c2ccc(F)cc12.

What is the InChIKey of 2-(5-fluoro-1H-indol-3-yl)-N-[3-[3-[3-[4-[3-(methylamino)propylamino]butylamino]propylamino]propylamino]propyl]acetamide?

The InChIKey is YOTYDTXUWCWHBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H48FN7O/c1-29-10-4-13-30-11-2-3-12-31-14-5-15-32-16-6-17-33-18-7-19-34-27(36)20-23-22-35-26-9-8-24(28)21-25(23)26/h8-9,21-22,29-33,35H,2-7,10-20H2,1H3,(H,34,36).

What are the key properties of 2-(5-fluoro-1H-indol-3-yl)-N-[3-[3-[3-[4-[3-(methylamino)propylamino]butylamino]propylamino]propylamino]propyl]acetamide?

2-(5-fluoro-1H-indol-3-yl)-N-[3-[3-[3-[4-[3-(methylamino)propylamino]butylamino]propylamino]propylamino]propyl]acetamide has a molecular weight of 505.73 g/mol, XLogP of 1.88, 23 rotatable bonds, 7 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(5-fluoro-1H-indol-3-yl)-N-[3-[3-[3-[4-[3-(methylamino)propylamino]butylamino]propylamino]propylamino]propyl]acetamide is sourced from PubChem (CID 54519508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).