5-[2-[4-(6-fluoro-1-benzothiophen-4-yl)piperazin-1-yl]ethyl]-1,3-dihydroindol-2-one

C22H22FN3OS — CID 138374865

IUPAC5-[2-[4-(6-fluoro-1-benzothiophen-4-yl)piperazin-1-yl]ethyl]-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(CCN3CCN(c4cc(F)cc5sccc45)CC3)ccc2N1
InChIInChI=1S/C22H22FN3OS/c23-17-13-20(18-4-10-28-21(18)14-17)26-8-6-25(7-9-26)5-3-15-1-2-19-16(11-15)12-22(27)24-19/h1-2,4,10-11,13-14H,3,5-9,12H2,(H,24,27)
InChIKeyCFXSGSXPPHRPBE-UHFFFAOYSA-N
MW395.50 g/mol
LogP3.90
Rot. Bonds4

About 5-[2-[4-(6-fluoro-1-benzothiophen-4-yl)piperazin-1-yl]ethyl]-1,3-dihydroindol-2-one

5-[2-[4-(6-fluoro-1-benzothiophen-4-yl)piperazin-1-yl]ethyl]-1,3-dihydroindol-2-one (PubChem CID 138374865) has the molecular formula C22H22FN3OS and a molecular weight of 395.50 g/mol. Its IUPAC name is 5-[2-[4-(6-fluoro-1-benzothiophen-4-yl)piperazin-1-yl]ethyl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-[2-[4-(6-fluoro-1-benzothiophen-4-yl)piperazin-1-yl]ethyl]-1,3-dihydroindol-2-one
PubChem CID138374865
Molecular FormulaC22H22FN3OS
Molecular Weight395.50 g/mol
Exact Mass395.15
IUPAC Name5-[2-[4-(6-fluoro-1-benzothiophen-4-yl)piperazin-1-yl]ethyl]-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(CCN3CCN(c4cc(F)cc5sccc45)CC3)ccc2N1
InChIInChI=1S/C22H22FN3OS/c23-17-13-20(18-4-10-28-21(18)14-17)26-8-6-25(7-9-26)5-3-15-1-2-19-16(11-15)12-22(27)24-19/h1-2,4,10-11,13-14H,3,5-9,12H2,(H,24,27)
InChIKeyCFXSGSXPPHRPBE-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

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[4-(6-fluoro-1-benzothiophen-4-yl)piperazin-1-yl]ethyl]-1,3-dihydroindol-2-one?
The IUPAC name of 5-[2-[4-(6-fluoro-1-benzothiophen-4-yl)piperazin-1-yl]ethyl]-1,3-dihydroindol-2-one (CID 138374865) is 5-[2-[4-(6-fluoro-1-benzothiophen-4-yl)piperazin-1-yl]ethyl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-[2-[4-(6-fluoro-1-benzothiophen-4-yl)piperazin-1-yl]ethyl]-1,3-dihydroindol-2-one?
The canonical SMILES for 5-[2-[4-(6-fluoro-1-benzothiophen-4-yl)piperazin-1-yl]ethyl]-1,3-dihydroindol-2-one is O=C1Cc2cc(CCN3CCN(c4cc(F)cc5sccc45)CC3)ccc2N1.
What is the InChIKey of 5-[2-[4-(6-fluoro-1-benzothiophen-4-yl)piperazin-1-yl]ethyl]-1,3-dihydroindol-2-one?
The InChIKey is CFXSGSXPPHRPBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN3OS/c23-17-13-20(18-4-10-28-21(18)14-17)26-8-6-25(7-9-26)5-3-15-1-2-19-16(11-15)12-22(27)24-19/h1-2,4,10-11,13-14H,3,5-9,12H2,(H,24,27).
What are the key properties of 5-[2-[4-(6-fluoro-1-benzothiophen-4-yl)piperazin-1-yl]ethyl]-1,3-dihydroindol-2-one?
5-[2-[4-(6-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-(6-fluoro-1-benzothiophen-4-yl)piperazin-1-yl]ethyl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 138374865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).