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

C25H24FN7O3 — CID 507836

IUPAC1-(4-benzoylpiperazin-1-yl)-2-[4-fluoro-7-(2-propyltetrazol-5-yl)-1H-indol-3-yl]ethane-1,2-dione
SMILESCCCn1nnc(-c2ccc(F)c3c(C(=O)C(=O)N4CCN(C(=O)c5ccccc5)CC4)c[nH]c23)n1
InChIInChI=1S/C25H24FN7O3/c1-2-10-33-29-23(28-30-33)17-8-9-19(26)20-18(15-27-21(17)20)22(34)25(36)32-13-11-31(12-14-32)24(35)16-6-4-3-5-7-16/h3-9,15,27H,2,10-14H2,1H3
InChIKeyZYSVWELEOITUDT-UHFFFAOYSA-N
MW489.51 g/mol
LogP2.54
Rot. Bonds6

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

1-(4-benzoylpiperazin-1-yl)-2-[4-fluoro-7-(2-propyltetrazol-5-yl)-1H-indol-3-yl]ethane-1,2-dione (PubChem CID 507836) has the molecular formula C25H24FN7O3 and a molecular weight of 489.51 g/mol. Its IUPAC name is 1-(4-benzoylpiperazin-1-yl)-2-[4-fluoro-7-(2-propyltetrazol-5-yl)-1H-indol-3-yl]ethane-1,2-dione.

Molecular Properties

Compound Name1-(4-benzoylpiperazin-1-yl)-2-[4-fluoro-7-(2-propyltetrazol-5-yl)-1H-indol-3-yl]ethane-1,2-dione
PubChem CID507836
Molecular FormulaC25H24FN7O3
Molecular Weight489.51 g/mol
Exact Mass489.19
IUPAC Name1-(4-benzoylpiperazin-1-yl)-2-[4-fluoro-7-(2-propyltetrazol-5-yl)-1H-indol-3-yl]ethane-1,2-dione
SMILESCCCn1nnc(-c2ccc(F)c3c(C(=O)C(=O)N4CCN(C(=O)c5ccccc5)CC4)c[nH]c23)n1
InChIInChI=1S/C25H24FN7O3/c1-2-10-33-29-23(28-30-33)17-8-9-19(26)20-18(15-27-21(17)20)22(34)25(36)32-13-11-31(12-14-32)24(35)16-6-4-3-5-7-16/h3-9,15,27H,2,10-14H2,1H3
InChIKeyZYSVWELEOITUDT-UHFFFAOYSA-N
XLogP2.54
TPSA117.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.51
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 1-(4-benzoylpiperazin-1-yl)-2-[4-fluoro-7-(2-propyltetrazol-5-yl)-1H-indol-3-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

Related Compounds

Piperazine, 1-(1H-indol-3-yloxoacetyl)-4-phenyl-
CID 3054779
1-(4-benzoylpiperazin-1-yl)-2-(4,6-difluoro-1H-indol-3-yl)ethane-1,2-dione
CID 506237
1-(4-benzoylpiperazin-1-yl)-2-(4-fluoro-7-methyl-1H-indol-3-yl)ethane-1,2-dione
CID 506244
1-(4-benzoylpiperazin-1-yl)-2-(4-fluoro-7-phenyl-1H-indol-3-yl)ethane-1,2-dione
CID 507809
1-(4-benzoylpiperazin-1-yl)-2-[4-fluoro-7-(2-pyridyl)-1H-indol-3-yl]ethane-1,2-dione
CID 507812
1-(4-benzoylpiperazin-1-yl)-2-[4-fluoro-7-(3-pyridyl)-1H-indol-3-yl]ethane-1,2-dione
CID 507824
3-[2-[(2R)-4-benzoyl-2-methyl-piperazin-1-yl]-2-oxo-acetyl]-4-fluoro-1H-indole-7-carboxamide
CID 507847
3-[2-(4-benzoylpiperazin-1-yl)-2-oxo-acetyl]-N-(4,5-dihydrothiazol-2-yl)-4-fluoro-1H-indole-7-carboxamide
CID 507857
3-[2-(4-benzoylpiperazin-1-yl)-2-oxo-acetyl]-4-fluoro-N-(2-pyridyl)-1H-indole-7-carboxamide
CID 507860
1-[(2R)-4-benzoyl-2-methyl-piperazin-1-yl]-2-[4-fluoro-7-(1H-tetrazol-5-yl)-1H-indol-3-yl]ethane-1,2-dione
CID 507867
3-[2-(4-benzoylpiperazin-1-yl)-2-oxo-acetyl]-4-fluoro-N-methyl-1H-indole-7-carboxamide
CID 507868
3-[2-(4-benzoylpiperazin-1-yl)-2-oxo-acetyl]-4-fluoro-N-(1H-tetrazol-5-yl)-1H-indole-7-carboxamide
CID 507869

Frequently Asked Questions

What is the IUPAC name of 1-(4-benzoylpiperazin-1-yl)-2-[4-fluoro-7-(2-propyltetrazol-5-yl)-1H-indol-3-yl]ethane-1,2-dione?
The IUPAC name of 1-(4-benzoylpiperazin-1-yl)-2-[4-fluoro-7-(2-propyltetrazol-5-yl)-1H-indol-3-yl]ethane-1,2-dione (CID 507836) is 1-(4-benzoylpiperazin-1-yl)-2-[4-fluoro-7-(2-propyltetrazol-5-yl)-1H-indol-3-yl]ethane-1,2-dione.
What is the SMILES notation for 1-(4-benzoylpiperazin-1-yl)-2-[4-fluoro-7-(2-propyltetrazol-5-yl)-1H-indol-3-yl]ethane-1,2-dione?
The canonical SMILES for 1-(4-benzoylpiperazin-1-yl)-2-[4-fluoro-7-(2-propyltetrazol-5-yl)-1H-indol-3-yl]ethane-1,2-dione is CCCn1nnc(-c2ccc(F)c3c(C(=O)C(=O)N4CCN(C(=O)c5ccccc5)CC4)c[nH]c23)n1.
What is the InChIKey of 1-(4-benzoylpiperazin-1-yl)-2-[4-fluoro-7-(2-propyltetrazol-5-yl)-1H-indol-3-yl]ethane-1,2-dione?
The InChIKey is ZYSVWELEOITUDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN7O3/c1-2-10-33-29-23(28-30-33)17-8-9-19(26)20-18(15-27-21(17)20)22(34)25(36)32-13-11-31(12-14-32)24(35)16-6-4-3-5-7-16/h3-9,15,27H,2,10-14H2,1H3.
What are the key properties of 1-(4-benzoylpiperazin-1-yl)-2-[4-fluoro-7-(2-propyltetrazol-5-yl)-1H-indol-3-yl]ethane-1,2-dione?
1-(4-benzoylpiperazin-1-yl)-2-[4-fluoro-7-(2-propyltetrazol-5-yl)-1H-indol-3-yl]ethane-1,2-dione has a molecular weight of 489.51 g/mol, XLogP of 2.54, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-benzoylpiperazin-1-yl)-2-[4-fluoro-7-(2-propyltetrazol-5-yl)-1H-indol-3-yl]ethane-1,2-dione is sourced from PubChem (CID 507836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).