1-(5-fluoro-1-benzothiophen-3-yl)-3-[4-(1H-indol-4-yl)piperazin-1-yl]propan-1-ol

C23H24FN3OS — CID 10158434

IUPAC1-(5-fluoro-1-benzothiophen-3-yl)-3-[4-(1H-indol-4-yl)piperazin-1-yl]propan-1-ol
SMILESOC(CCN1CCN(c2cccc3[nH]ccc23)CC1)c1csc2ccc(F)cc12
InChIInChI=1S/C23H24FN3OS/c24-16-4-5-23-18(14-16)19(15-29-23)22(28)7-9-26-10-12-27(13-11-26)21-3-1-2-20-17(21)6-8-25-20/h1-6,8,14-15,22,25,28H,7,9-13H2
InChIKeyGWCXMTRMKIIFDL-UHFFFAOYSA-N
MW409.53 g/mol
LogP4.77
Rot. Bonds5

About 1-(5-fluoro-1-benzothiophen-3-yl)-3-[4-(1H-indol-4-yl)piperazin-1-yl]propan-1-ol

1-(5-fluoro-1-benzothiophen-3-yl)-3-[4-(1H-indol-4-yl)piperazin-1-yl]propan-1-ol (PubChem CID 10158434) has the molecular formula C23H24FN3OS and a molecular weight of 409.53 g/mol. Its IUPAC name is 1-(5-fluoro-1-benzothiophen-3-yl)-3-[4-(1H-indol-4-yl)piperazin-1-yl]propan-1-ol.

Molecular Properties

Compound Name1-(5-fluoro-1-benzothiophen-3-yl)-3-[4-(1H-indol-4-yl)piperazin-1-yl]propan-1-ol
PubChem CID10158434
Molecular FormulaC23H24FN3OS
Molecular Weight409.53 g/mol
Exact Mass409.16
IUPAC Name1-(5-fluoro-1-benzothiophen-3-yl)-3-[4-(1H-indol-4-yl)piperazin-1-yl]propan-1-ol
SMILESOC(CCN1CCN(c2cccc3[nH]ccc23)CC1)c1csc2ccc(F)cc12
InChIInChI=1S/C23H24FN3OS/c24-16-4-5-23-18(14-16)19(15-29-23)22(28)7-9-26-10-12-27(13-11-26)21-3-1-2-20-17(21)6-8-25-20/h1-6,8,14-15,22,25,28H,7,9-13H2
InChIKeyGWCXMTRMKIIFDL-UHFFFAOYSA-N
XLogP4.77
TPSA42.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.53
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-1-benzothiophen-3-yl)-3-[4-(1H-indol-4-yl)piperazin-1-yl]propan-1-ol?
The IUPAC name of 1-(5-fluoro-1-benzothiophen-3-yl)-3-[4-(1H-indol-4-yl)piperazin-1-yl]propan-1-ol (CID 10158434) is 1-(5-fluoro-1-benzothiophen-3-yl)-3-[4-(1H-indol-4-yl)piperazin-1-yl]propan-1-ol.
What is the SMILES notation for 1-(5-fluoro-1-benzothiophen-3-yl)-3-[4-(1H-indol-4-yl)piperazin-1-yl]propan-1-ol?
The canonical SMILES for 1-(5-fluoro-1-benzothiophen-3-yl)-3-[4-(1H-indol-4-yl)piperazin-1-yl]propan-1-ol is OC(CCN1CCN(c2cccc3[nH]ccc23)CC1)c1csc2ccc(F)cc12.
What is the InChIKey of 1-(5-fluoro-1-benzothiophen-3-yl)-3-[4-(1H-indol-4-yl)piperazin-1-yl]propan-1-ol?
The InChIKey is GWCXMTRMKIIFDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN3OS/c24-16-4-5-23-18(14-16)19(15-29-23)22(28)7-9-26-10-12-27(13-11-26)21-3-1-2-20-17(21)6-8-25-20/h1-6,8,14-15,22,25,28H,7,9-13H2.
What are the key properties of 1-(5-fluoro-1-benzothiophen-3-yl)-3-[4-(1H-indol-4-yl)piperazin-1-yl]propan-1-ol?
1-(5-fluoro-1-benzothiophen-3-yl)-3-[4-(1H-indol-4-yl)piperazin-1-yl]propan-1-ol has a molecular weight of 409.53 g/mol, XLogP of 4.77, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-1-benzothiophen-3-yl)-3-[4-(1H-indol-4-yl)piperazin-1-yl]propan-1-ol is sourced from PubChem (CID 10158434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).