2-[3-[3-[2-(4-benzoylpiperazin-1-yl)-2-oxoacetyl]-4-fluoro-1H-indol-7-yl]-1,2,4-oxadiazol-5-yl]-N-methylacetamide

C26H23FN6O5 — CID 507907

About 2-[3-[3-[2-(4-benzoylpiperazin-1-yl)-2-oxoacetyl]-4-fluoro-1H-indol-7-yl]-1,2,4-oxadiazol-5-yl]-N-methylacetamide

2-[3-[3-[2-(4-benzoylpiperazin-1-yl)-2-oxoacetyl]-4-fluoro-1H-indol-7-yl]-1,2,4-oxadiazol-5-yl]-N-methylacetamide (PubChem CID 507907) has the molecular formula C26H23FN6O5 and a molecular weight of 518.51 g/mol. Its IUPAC name is 2-[3-[3-[2-(4-benzoylpiperazin-1-yl)-2-oxoacetyl]-4-fluoro-1H-indol-7-yl]-1,2,4-oxadiazol-5-yl]-N-methylacetamide.

Molecular Properties

• Compound Name: 2-[3-[3-[2-(4-benzoylpiperazin-1-yl)-2-oxoacetyl]-4-fluoro-1H-indol-7-yl]-1,2,4-oxadiazol-5-yl]-N-methylacetamide
• PubChem CID: 507907
• Molecular Formula: C26H23FN6O5
• Molecular Weight: 518.51 g/mol
• Exact Mass: 518.17
• IUPAC Name: 2-[3-[3-[2-(4-benzoylpiperazin-1-yl)-2-oxoacetyl]-4-fluoro-1H-indol-7-yl]-1,2,4-oxadiazol-5-yl]-N-methylacetamide
• SMILES: CNC(=O)Cc1nc(-c2ccc(F)c3c(C(=O)C(=O)N4CCN(C(=O)c5ccccc5)CC4)c[nH]c23)no1
• InChI: InChI=1S/C26H23FN6O5/c1-28-19(34)13-20-30-24(31-38-20)16-7-8-18(27)21-17(14-29-22(16)21)23(35)26(37)33-11-9-32(10-12-33)25(36)15-5-3-2-4-6-15/h2-8,14,29H,9-13H2,1H3,(H,28,34)
• InChIKey: UZMGDMIXLZKXCV-UHFFFAOYSA-N
• XLogP: 1.81
• TPSA: 141.50 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	518.51
LogP ≤ 5	1.81
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-[2-(4-benzoylpiperazin-1-yl)-2-oxoacetyl]-4-fluoro-1H-indol-7-yl]-1,2,4-oxadiazol-5-yl]-N-methylacetamide?

The IUPAC name of 2-[3-[3-[2-(4-benzoylpiperazin-1-yl)-2-oxoacetyl]-4-fluoro-1H-indol-7-yl]-1,2,4-oxadiazol-5-yl]-N-methylacetamide (CID 507907) is 2-[3-[3-[2-(4-benzoylpiperazin-1-yl)-2-oxoacetyl]-4-fluoro-1H-indol-7-yl]-1,2,4-oxadiazol-5-yl]-N-methylacetamide.

What is the SMILES notation for 2-[3-[3-[2-(4-benzoylpiperazin-1-yl)-2-oxoacetyl]-4-fluoro-1H-indol-7-yl]-1,2,4-oxadiazol-5-yl]-N-methylacetamide?

The canonical SMILES for 2-[3-[3-[2-(4-benzoylpiperazin-1-yl)-2-oxoacetyl]-4-fluoro-1H-indol-7-yl]-1,2,4-oxadiazol-5-yl]-N-methylacetamide is CNC(=O)Cc1nc(-c2ccc(F)c3c(C(=O)C(=O)N4CCN(C(=O)c5ccccc5)CC4)c[nH]c23)no1.

What is the InChIKey of 2-[3-[3-[2-(4-benzoylpiperazin-1-yl)-2-oxoacetyl]-4-fluoro-1H-indol-7-yl]-1,2,4-oxadiazol-5-yl]-N-methylacetamide?

The InChIKey is UZMGDMIXLZKXCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23FN6O5/c1-28-19(34)13-20-30-24(31-38-20)16-7-8-18(27)21-17(14-29-22(16)21)23(35)26(37)33-11-9-32(10-12-33)25(36)15-5-3-2-4-6-15/h2-8,14,29H,9-13H2,1H3,(H,28,34).

What are the key properties of 2-[3-[3-[2-(4-benzoylpiperazin-1-yl)-2-oxoacetyl]-4-fluoro-1H-indol-7-yl]-1,2,4-oxadiazol-5-yl]-N-methylacetamide?

2-[3-[3-[2-(4-benzoylpiperazin-1-yl)-2-oxoacetyl]-4-fluoro-1H-indol-7-yl]-1,2,4-oxadiazol-5-yl]-N-methylacetamide has a molecular weight of 518.51 g/mol, XLogP of 1.81, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[3-[2-(4-benzoylpiperazin-1-yl)-2-oxoacetyl]-4-fluoro-1H-indol-7-yl]-1,2,4-oxadiazol-5-yl]-N-methylacetamide is sourced from PubChem (CID 507907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).