1-[7-(5-amino-1,3,4-oxadiazol-2-yl)-4-fluoro-1H-indol-3-yl]-2-(4-benzoylpiperazin-1-yl)ethane-1,2-dione

C23H19FN6O4 — CID 507902

IUPAC1-[7-(5-amino-1,3,4-oxadiazol-2-yl)-4-fluoro-1H-indol-3-yl]-2-(4-benzoylpiperazin-1-yl)ethane-1,2-dione
SMILESNc1nnc(-c2ccc(F)c3c(C(=O)C(=O)N4CCN(C(=O)c5ccccc5)CC4)c[nH]c23)o1
InChIInChI=1S/C23H19FN6O4/c24-16-7-6-14(20-27-28-23(25)34-20)18-17(16)15(12-26-18)19(31)22(33)30-10-8-29(9-11-30)21(32)13-4-2-1-3-5-13/h1-7,12,26H,8-11H2,(H2,25,28)
InChIKeyULHNXKCYBVNKOX-UHFFFAOYSA-N
MW462.44 g/mol
LogP2.11
Rot. Bonds4

About 1-[7-(5-amino-1,3,4-oxadiazol-2-yl)-4-fluoro-1H-indol-3-yl]-2-(4-benzoylpiperazin-1-yl)ethane-1,2-dione

1-[7-(5-amino-1,3,4-oxadiazol-2-yl)-4-fluoro-1H-indol-3-yl]-2-(4-benzoylpiperazin-1-yl)ethane-1,2-dione (PubChem CID 507902) has the molecular formula C23H19FN6O4 and a molecular weight of 462.44 g/mol. Its IUPAC name is 1-[7-(5-amino-1,3,4-oxadiazol-2-yl)-4-fluoro-1H-indol-3-yl]-2-(4-benzoylpiperazin-1-yl)ethane-1,2-dione.

Molecular Properties

Compound Name1-[7-(5-amino-1,3,4-oxadiazol-2-yl)-4-fluoro-1H-indol-3-yl]-2-(4-benzoylpiperazin-1-yl)ethane-1,2-dione
PubChem CID507902
Molecular FormulaC23H19FN6O4
Molecular Weight462.44 g/mol
Exact Mass462.15
IUPAC Name1-[7-(5-amino-1,3,4-oxadiazol-2-yl)-4-fluoro-1H-indol-3-yl]-2-(4-benzoylpiperazin-1-yl)ethane-1,2-dione
SMILESNc1nnc(-c2ccc(F)c3c(C(=O)C(=O)N4CCN(C(=O)c5ccccc5)CC4)c[nH]c23)o1
InChIInChI=1S/C23H19FN6O4/c24-16-7-6-14(20-27-28-23(25)34-20)18-17(16)15(12-26-18)19(31)22(33)30-10-8-29(9-11-30)21(32)13-4-2-1-3-5-13/h1-7,12,26H,8-11H2,(H2,25,28)
InChIKeyULHNXKCYBVNKOX-UHFFFAOYSA-N
XLogP2.11
TPSA138.42 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.44
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 1-[7-(5-amino-1,3,4-oxadiazol-2-yl)-4-fluoro-1H-indol-3-yl]-2-(4-benzoylpiperazin-1-yl)ethane-1,2-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[7-(5-amino-1,3,4-oxadiazol-2-yl)-4-fluoro-1H-indol-3-yl]-2-(4-benzoylpiperazin-1-yl)ethane-1,2-dione?
The IUPAC name of 1-[7-(5-amino-1,3,4-oxadiazol-2-yl)-4-fluoro-1H-indol-3-yl]-2-(4-benzoylpiperazin-1-yl)ethane-1,2-dione (CID 507902) is 1-[7-(5-amino-1,3,4-oxadiazol-2-yl)-4-fluoro-1H-indol-3-yl]-2-(4-benzoylpiperazin-1-yl)ethane-1,2-dione.
What is the SMILES notation for 1-[7-(5-amino-1,3,4-oxadiazol-2-yl)-4-fluoro-1H-indol-3-yl]-2-(4-benzoylpiperazin-1-yl)ethane-1,2-dione?
The canonical SMILES for 1-[7-(5-amino-1,3,4-oxadiazol-2-yl)-4-fluoro-1H-indol-3-yl]-2-(4-benzoylpiperazin-1-yl)ethane-1,2-dione is Nc1nnc(-c2ccc(F)c3c(C(=O)C(=O)N4CCN(C(=O)c5ccccc5)CC4)c[nH]c23)o1.
What is the InChIKey of 1-[7-(5-amino-1,3,4-oxadiazol-2-yl)-4-fluoro-1H-indol-3-yl]-2-(4-benzoylpiperazin-1-yl)ethane-1,2-dione?
The InChIKey is ULHNXKCYBVNKOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN6O4/c24-16-7-6-14(20-27-28-23(25)34-20)18-17(16)15(12-26-18)19(31)22(33)30-10-8-29(9-11-30)21(32)13-4-2-1-3-5-13/h1-7,12,26H,8-11H2,(H2,25,28).
What are the key properties of 1-[7-(5-amino-1,3,4-oxadiazol-2-yl)-4-fluoro-1H-indol-3-yl]-2-(4-benzoylpiperazin-1-yl)ethane-1,2-dione?
1-[7-(5-amino-1,3,4-oxadiazol-2-yl)-4-fluoro-1H-indol-3-yl]-2-(4-benzoylpiperazin-1-yl)ethane-1,2-dione has a molecular weight of 462.44 g/mol, XLogP of 2.11, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-(5-amino-1,3,4-oxadiazol-2-yl)-4-fluoro-1H-indol-3-yl]-2-(4-benzoylpiperazin-1-yl)ethane-1,2-dione is sourced from PubChem (CID 507902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).