5-[2-[4-(2-fluoro-1-benzothiophen-4-yl)piperazin-1-yl]ethyl]-1,3-dihydroindol-2-one

C22H22FN3OS — CID 138374861

IUPAC5-[2-[4-(2-fluoro-1-benzothiophen-4-yl)piperazin-1-yl]ethyl]-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(CCN3CCN(c4cccc5sc(F)cc45)CC3)ccc2N1
InChIInChI=1S/C22H22FN3OS/c23-21-14-17-19(2-1-3-20(17)28-21)26-10-8-25(9-11-26)7-6-15-4-5-18-16(12-15)13-22(27)24-18/h1-5,12,14H,6-11,13H2,(H,24,27)
InChIKeyNTNZQIYNYUYERV-UHFFFAOYSA-N
MW395.50 g/mol
LogP3.90
Rot. Bonds4

About 5-[2-[4-(2-fluoro-1-benzothiophen-4-yl)piperazin-1-yl]ethyl]-1,3-dihydroindol-2-one

5-[2-[4-(2-fluoro-1-benzothiophen-4-yl)piperazin-1-yl]ethyl]-1,3-dihydroindol-2-one (PubChem CID 138374861) has the molecular formula C22H22FN3OS and a molecular weight of 395.50 g/mol. Its IUPAC name is 5-[2-[4-(2-fluoro-1-benzothiophen-4-yl)piperazin-1-yl]ethyl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-[2-[4-(2-fluoro-1-benzothiophen-4-yl)piperazin-1-yl]ethyl]-1,3-dihydroindol-2-one
PubChem CID138374861
Molecular FormulaC22H22FN3OS
Molecular Weight395.50 g/mol
Exact Mass395.15
IUPAC Name5-[2-[4-(2-fluoro-1-benzothiophen-4-yl)piperazin-1-yl]ethyl]-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(CCN3CCN(c4cccc5sc(F)cc45)CC3)ccc2N1
InChIInChI=1S/C22H22FN3OS/c23-21-14-17-19(2-1-3-20(17)28-21)26-10-8-25(9-11-26)7-6-15-4-5-18-16(12-15)13-22(27)24-18/h1-5,12,14H,6-11,13H2,(H,24,27)
InChIKeyNTNZQIYNYUYERV-UHFFFAOYSA-N
XLogP3.90
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[2-[4-(2-fluoro-1-benzothiophen-4-yl)piperazin-1-yl]ethyl]-1,3-dihydroindol-2-one 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-(2-fluoro-1-benzothiophen-4-yl)piperazin-1-yl]ethyl]-1,3-dihydroindol-2-one?
The IUPAC name of 5-[2-[4-(2-fluoro-1-benzothiophen-4-yl)piperazin-1-yl]ethyl]-1,3-dihydroindol-2-one (CID 138374861) is 5-[2-[4-(2-fluoro-1-benzothiophen-4-yl)piperazin-1-yl]ethyl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-[2-[4-(2-fluoro-1-benzothiophen-4-yl)piperazin-1-yl]ethyl]-1,3-dihydroindol-2-one?
The canonical SMILES for 5-[2-[4-(2-fluoro-1-benzothiophen-4-yl)piperazin-1-yl]ethyl]-1,3-dihydroindol-2-one is O=C1Cc2cc(CCN3CCN(c4cccc5sc(F)cc45)CC3)ccc2N1.
What is the InChIKey of 5-[2-[4-(2-fluoro-1-benzothiophen-4-yl)piperazin-1-yl]ethyl]-1,3-dihydroindol-2-one?
The InChIKey is NTNZQIYNYUYERV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN3OS/c23-21-14-17-19(2-1-3-20(17)28-21)26-10-8-25(9-11-26)7-6-15-4-5-18-16(12-15)13-22(27)24-18/h1-5,12,14H,6-11,13H2,(H,24,27).
What are the key properties of 5-[2-[4-(2-fluoro-1-benzothiophen-4-yl)piperazin-1-yl]ethyl]-1,3-dihydroindol-2-one?
5-[2-[4-(2-fluoro-1-benzothiophen-4-yl)piperazin-1-yl]ethyl]-1,3-dihydroindol-2-one has a molecular weight of 395.50 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[4-(2-fluoro-1-benzothiophen-4-yl)piperazin-1-yl]ethyl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 138374861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).