5-fluoro-3-[3-[4-(4-fluoro-2-thiophen-2-ylphenyl)piperazin-1-yl]propyl]-1H-indole

C25H25F2N3S — CID 155526720

IUPAC5-fluoro-3-[3-[4-(4-fluoro-2-thiophen-2-ylphenyl)piperazin-1-yl]propyl]-1H-indole
SMILESFc1ccc(N2CCN(CCCc3c[nH]c4ccc(F)cc34)CC2)c(-c2cccs2)c1
InChIInChI=1S/C25H25F2N3S/c26-19-5-7-23-21(15-19)18(17-28-23)3-1-9-29-10-12-30(13-11-29)24-8-6-20(27)16-22(24)25-4-2-14-31-25/h2,4-8,14-17,28H,1,3,9-13H2
InChIKeyXXBQHKZSOYPBLD-UHFFFAOYSA-N
MW437.56 g/mol
LogP5.93
Rot. Bonds6

About 5-fluoro-3-[3-[4-(4-fluoro-2-thiophen-2-ylphenyl)piperazin-1-yl]propyl]-1H-indole

5-fluoro-3-[3-[4-(4-fluoro-2-thiophen-2-ylphenyl)piperazin-1-yl]propyl]-1H-indole (PubChem CID 155526720) has the molecular formula C25H25F2N3S and a molecular weight of 437.56 g/mol. Its IUPAC name is 5-fluoro-3-[3-[4-(4-fluoro-2-thiophen-2-ylphenyl)piperazin-1-yl]propyl]-1H-indole.

Molecular Properties

Compound Name5-fluoro-3-[3-[4-(4-fluoro-2-thiophen-2-ylphenyl)piperazin-1-yl]propyl]-1H-indole
PubChem CID155526720
Molecular FormulaC25H25F2N3S
Molecular Weight437.56 g/mol
Exact Mass437.17
IUPAC Name5-fluoro-3-[3-[4-(4-fluoro-2-thiophen-2-ylphenyl)piperazin-1-yl]propyl]-1H-indole
SMILESFc1ccc(N2CCN(CCCc3c[nH]c4ccc(F)cc34)CC2)c(-c2cccs2)c1
InChIInChI=1S/C25H25F2N3S/c26-19-5-7-23-21(15-19)18(17-28-23)3-1-9-29-10-12-30(13-11-29)24-8-6-20(27)16-22(24)25-4-2-14-31-25/h2,4-8,14-17,28H,1,3,9-13H2
InChIKeyXXBQHKZSOYPBLD-UHFFFAOYSA-N
XLogP5.93
TPSA22.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.56
LogP ≤ 55.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-[3-[4-(4-fluoro-2-thiophen-2-ylphenyl)piperazin-1-yl]propyl]-1H-indole?
The IUPAC name of 5-fluoro-3-[3-[4-(4-fluoro-2-thiophen-2-ylphenyl)piperazin-1-yl]propyl]-1H-indole (CID 155526720) is 5-fluoro-3-[3-[4-(4-fluoro-2-thiophen-2-ylphenyl)piperazin-1-yl]propyl]-1H-indole.
What is the SMILES notation for 5-fluoro-3-[3-[4-(4-fluoro-2-thiophen-2-ylphenyl)piperazin-1-yl]propyl]-1H-indole?
The canonical SMILES for 5-fluoro-3-[3-[4-(4-fluoro-2-thiophen-2-ylphenyl)piperazin-1-yl]propyl]-1H-indole is Fc1ccc(N2CCN(CCCc3c[nH]c4ccc(F)cc34)CC2)c(-c2cccs2)c1.
What is the InChIKey of 5-fluoro-3-[3-[4-(4-fluoro-2-thiophen-2-ylphenyl)piperazin-1-yl]propyl]-1H-indole?
The InChIKey is XXBQHKZSOYPBLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25F2N3S/c26-19-5-7-23-21(15-19)18(17-28-23)3-1-9-29-10-12-30(13-11-29)24-8-6-20(27)16-22(24)25-4-2-14-31-25/h2,4-8,14-17,28H,1,3,9-13H2.
What are the key properties of 5-fluoro-3-[3-[4-(4-fluoro-2-thiophen-2-ylphenyl)piperazin-1-yl]propyl]-1H-indole?
5-fluoro-3-[3-[4-(4-fluoro-2-thiophen-2-ylphenyl)piperazin-1-yl]propyl]-1H-indole has a molecular weight of 437.56 g/mol, XLogP of 5.93, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-[3-[4-(4-fluoro-2-thiophen-2-ylphenyl)piperazin-1-yl]propyl]-1H-indole is sourced from PubChem (CID 155526720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).