5-[2-[4-(5-fluoro-1-benzothiophen-3-yl)piperazin-1-yl]ethoxy]-2,3-dihydro-1H-isoindole

C22H24FN3OS — CID 25068743

IUPAC5-[2-[4-(5-fluoro-1-benzothiophen-3-yl)piperazin-1-yl]ethoxy]-2,3-dihydro-1H-isoindole
SMILESFc1ccc2scc(N3CCN(CCOc4ccc5c(c4)CNC5)CC3)c2c1
InChIInChI=1S/C22H24FN3OS/c23-18-2-4-22-20(12-18)21(15-28-22)26-7-5-25(6-8-26)9-10-27-19-3-1-16-13-24-14-17(16)11-19/h1-4,11-12,15,24H,5-10,13-14H2
InChIKeyVXTLSNNROSJREN-UHFFFAOYSA-N
MW397.52 g/mol
LogP3.84
Rot. Bonds5

About 5-[2-[4-(5-fluoro-1-benzothiophen-3-yl)piperazin-1-yl]ethoxy]-2,3-dihydro-1H-isoindole

5-[2-[4-(5-fluoro-1-benzothiophen-3-yl)piperazin-1-yl]ethoxy]-2,3-dihydro-1H-isoindole (PubChem CID 25068743) has the molecular formula C22H24FN3OS and a molecular weight of 397.52 g/mol. Its IUPAC name is 5-[2-[4-(5-fluoro-1-benzothiophen-3-yl)piperazin-1-yl]ethoxy]-2,3-dihydro-1H-isoindole.

Molecular Properties

Compound Name5-[2-[4-(5-fluoro-1-benzothiophen-3-yl)piperazin-1-yl]ethoxy]-2,3-dihydro-1H-isoindole
PubChem CID25068743
Molecular FormulaC22H24FN3OS
Molecular Weight397.52 g/mol
Exact Mass397.16
IUPAC Name5-[2-[4-(5-fluoro-1-benzothiophen-3-yl)piperazin-1-yl]ethoxy]-2,3-dihydro-1H-isoindole
SMILESFc1ccc2scc(N3CCN(CCOc4ccc5c(c4)CNC5)CC3)c2c1
InChIInChI=1S/C22H24FN3OS/c23-18-2-4-22-20(12-18)21(15-28-22)26-7-5-25(6-8-26)9-10-27-19-3-1-16-13-24-14-17(16)11-19/h1-4,11-12,15,24H,5-10,13-14H2
InChIKeyVXTLSNNROSJREN-UHFFFAOYSA-N
XLogP3.84
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.52
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[2-[4-(5-fluoro-1-benzothiophen-3-yl)piperazin-1-yl]ethoxy]-2,3-dihydro-1H-isoindole 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 5-[2-[4-(5-fluoro-1-benzothiophen-3-yl)piperazin-1-yl]ethoxy]-2,3-dihydro-1H-isoindole?
The IUPAC name of 5-[2-[4-(5-fluoro-1-benzothiophen-3-yl)piperazin-1-yl]ethoxy]-2,3-dihydro-1H-isoindole (CID 25068743) is 5-[2-[4-(5-fluoro-1-benzothiophen-3-yl)piperazin-1-yl]ethoxy]-2,3-dihydro-1H-isoindole.
What is the SMILES notation for 5-[2-[4-(5-fluoro-1-benzothiophen-3-yl)piperazin-1-yl]ethoxy]-2,3-dihydro-1H-isoindole?
The canonical SMILES for 5-[2-[4-(5-fluoro-1-benzothiophen-3-yl)piperazin-1-yl]ethoxy]-2,3-dihydro-1H-isoindole is Fc1ccc2scc(N3CCN(CCOc4ccc5c(c4)CNC5)CC3)c2c1.
What is the InChIKey of 5-[2-[4-(5-fluoro-1-benzothiophen-3-yl)piperazin-1-yl]ethoxy]-2,3-dihydro-1H-isoindole?
The InChIKey is VXTLSNNROSJREN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN3OS/c23-18-2-4-22-20(12-18)21(15-28-22)26-7-5-25(6-8-26)9-10-27-19-3-1-16-13-24-14-17(16)11-19/h1-4,11-12,15,24H,5-10,13-14H2.
What are the key properties of 5-[2-[4-(5-fluoro-1-benzothiophen-3-yl)piperazin-1-yl]ethoxy]-2,3-dihydro-1H-isoindole?
5-[2-[4-(5-fluoro-1-benzothiophen-3-yl)piperazin-1-yl]ethoxy]-2,3-dihydro-1H-isoindole has a molecular weight of 397.52 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[4-(5-fluoro-1-benzothiophen-3-yl)piperazin-1-yl]ethoxy]-2,3-dihydro-1H-isoindole is sourced from PubChem (CID 25068743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).