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

C25H25F2N3S — CID 155534839

IUPAC5-fluoro-3-[3-[4-(4-fluoro-2-thiophen-3-ylphenyl)piperazin-1-yl]propyl]-1H-indole
SMILESFc1ccc(N2CCN(CCCc3c[nH]c4ccc(F)cc34)CC2)c(-c2ccsc2)c1
InChIInChI=1S/C25H25F2N3S/c26-20-3-5-24-22(14-20)18(16-28-24)2-1-8-29-9-11-30(12-10-29)25-6-4-21(27)15-23(25)19-7-13-31-17-19/h3-7,13-17,28H,1-2,8-12H2
InChIKeyXHQOFWMFUCKWSM-UHFFFAOYSA-N
MW437.56 g/mol
LogP5.93
Rot. Bonds6

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

5-fluoro-3-[3-[4-(4-fluoro-2-thiophen-3-ylphenyl)piperazin-1-yl]propyl]-1H-indole (PubChem CID 155534839) 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-3-ylphenyl)piperazin-1-yl]propyl]-1H-indole.

Molecular Properties

Compound Name5-fluoro-3-[3-[4-(4-fluoro-2-thiophen-3-ylphenyl)piperazin-1-yl]propyl]-1H-indole
PubChem CID155534839
Molecular FormulaC25H25F2N3S
Molecular Weight437.56 g/mol
Exact Mass437.17
IUPAC Name5-fluoro-3-[3-[4-(4-fluoro-2-thiophen-3-ylphenyl)piperazin-1-yl]propyl]-1H-indole
SMILESFc1ccc(N2CCN(CCCc3c[nH]c4ccc(F)cc34)CC2)c(-c2ccsc2)c1
InChIInChI=1S/C25H25F2N3S/c26-20-3-5-24-22(14-20)18(16-28-24)2-1-8-29-9-11-30(12-10-29)25-6-4-21(27)15-23(25)19-7-13-31-17-19/h3-7,13-17,28H,1-2,8-12H2
InChIKeyXHQOFWMFUCKWSM-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-3-ylphenyl)piperazin-1-yl]propyl]-1H-indole?
The IUPAC name of 5-fluoro-3-[3-[4-(4-fluoro-2-thiophen-3-ylphenyl)piperazin-1-yl]propyl]-1H-indole (CID 155534839) is 5-fluoro-3-[3-[4-(4-fluoro-2-thiophen-3-ylphenyl)piperazin-1-yl]propyl]-1H-indole.
What is the SMILES notation for 5-fluoro-3-[3-[4-(4-fluoro-2-thiophen-3-ylphenyl)piperazin-1-yl]propyl]-1H-indole?
The canonical SMILES for 5-fluoro-3-[3-[4-(4-fluoro-2-thiophen-3-ylphenyl)piperazin-1-yl]propyl]-1H-indole is Fc1ccc(N2CCN(CCCc3c[nH]c4ccc(F)cc34)CC2)c(-c2ccsc2)c1.
What is the InChIKey of 5-fluoro-3-[3-[4-(4-fluoro-2-thiophen-3-ylphenyl)piperazin-1-yl]propyl]-1H-indole?
The InChIKey is XHQOFWMFUCKWSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25F2N3S/c26-20-3-5-24-22(14-20)18(16-28-24)2-1-8-29-9-11-30(12-10-29)25-6-4-21(27)15-23(25)19-7-13-31-17-19/h3-7,13-17,28H,1-2,8-12H2.
What are the key properties of 5-fluoro-3-[3-[4-(4-fluoro-2-thiophen-3-ylphenyl)piperazin-1-yl]propyl]-1H-indole?
5-fluoro-3-[3-[4-(4-fluoro-2-thiophen-3-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-3-ylphenyl)piperazin-1-yl]propyl]-1H-indole is sourced from PubChem (CID 155534839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).