[3-(furan-2-yl)-1H-indol-5-yl]-(4-thiophen-2-ylpiperazin-1-yl)methanone

C21H19N3O2S — CID 22727373

IUPAC[3-(furan-2-yl)-1H-indol-5-yl]-(4-thiophen-2-ylpiperazin-1-yl)methanone
SMILESO=C(c1ccc2[nH]cc(-c3ccco3)c2c1)N1CCN(c2cccs2)CC1
InChIInChI=1S/C21H19N3O2S/c25-21(24-9-7-23(8-10-24)20-4-2-12-27-20)15-5-6-18-16(13-15)17(14-22-18)19-3-1-11-26-19/h1-6,11-14,22H,7-10H2
InChIKeyQNPFGEGZPICPKE-UHFFFAOYSA-N
MW377.47 g/mol
LogP4.45
Rot. Bonds3

About [3-(furan-2-yl)-1H-indol-5-yl]-(4-thiophen-2-ylpiperazin-1-yl)methanone

[3-(furan-2-yl)-1H-indol-5-yl]-(4-thiophen-2-ylpiperazin-1-yl)methanone (PubChem CID 22727373) has the molecular formula C21H19N3O2S and a molecular weight of 377.47 g/mol. Its IUPAC name is [3-(furan-2-yl)-1H-indol-5-yl]-(4-thiophen-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[3-(furan-2-yl)-1H-indol-5-yl]-(4-thiophen-2-ylpiperazin-1-yl)methanone
PubChem CID22727373
Molecular FormulaC21H19N3O2S
Molecular Weight377.47 g/mol
Exact Mass377.12
IUPAC Name[3-(furan-2-yl)-1H-indol-5-yl]-(4-thiophen-2-ylpiperazin-1-yl)methanone
SMILESO=C(c1ccc2[nH]cc(-c3ccco3)c2c1)N1CCN(c2cccs2)CC1
InChIInChI=1S/C21H19N3O2S/c25-21(24-9-7-23(8-10-24)20-4-2-12-27-20)15-5-6-18-16(13-15)17(14-22-18)19-3-1-11-26-19/h1-6,11-14,22H,7-10H2
InChIKeyQNPFGEGZPICPKE-UHFFFAOYSA-N
XLogP4.45
TPSA52.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-(furan-2-yl)-1H-indol-5-yl]-(4-thiophen-2-ylpiperazin-1-yl)methanone?
The IUPAC name of [3-(furan-2-yl)-1H-indol-5-yl]-(4-thiophen-2-ylpiperazin-1-yl)methanone (CID 22727373) is [3-(furan-2-yl)-1H-indol-5-yl]-(4-thiophen-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for [3-(furan-2-yl)-1H-indol-5-yl]-(4-thiophen-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for [3-(furan-2-yl)-1H-indol-5-yl]-(4-thiophen-2-ylpiperazin-1-yl)methanone is O=C(c1ccc2[nH]cc(-c3ccco3)c2c1)N1CCN(c2cccs2)CC1.
What is the InChIKey of [3-(furan-2-yl)-1H-indol-5-yl]-(4-thiophen-2-ylpiperazin-1-yl)methanone?
The InChIKey is QNPFGEGZPICPKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O2S/c25-21(24-9-7-23(8-10-24)20-4-2-12-27-20)15-5-6-18-16(13-15)17(14-22-18)19-3-1-11-26-19/h1-6,11-14,22H,7-10H2.
What are the key properties of [3-(furan-2-yl)-1H-indol-5-yl]-(4-thiophen-2-ylpiperazin-1-yl)methanone?
[3-(furan-2-yl)-1H-indol-5-yl]-(4-thiophen-2-ylpiperazin-1-yl)methanone has a molecular weight of 377.47 g/mol, XLogP of 4.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(furan-2-yl)-1H-indol-5-yl]-(4-thiophen-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 22727373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).