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

C21H19N3O2S — CID 22727389

IUPAC[3-(furan-2-yl)-1H-indol-5-yl]-(4-thiophen-3-ylpiperazin-1-yl)methanone
SMILESO=C(c1ccc2[nH]cc(-c3ccco3)c2c1)N1CCN(c2ccsc2)CC1
InChIInChI=1S/C21H19N3O2S/c25-21(24-8-6-23(7-9-24)16-5-11-27-14-16)15-3-4-19-17(12-15)18(13-22-19)20-2-1-10-26-20/h1-5,10-14,22H,6-9H2
InChIKeyIQAQEUZBYIAKSD-UHFFFAOYSA-N
MW377.47 g/mol
LogP4.45
Rot. Bonds3

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

[3-(furan-2-yl)-1H-indol-5-yl]-(4-thiophen-3-ylpiperazin-1-yl)methanone (PubChem CID 22727389) 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-3-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[3-(furan-2-yl)-1H-indol-5-yl]-(4-thiophen-3-ylpiperazin-1-yl)methanone
PubChem CID22727389
Molecular FormulaC21H19N3O2S
Molecular Weight377.47 g/mol
Exact Mass377.12
IUPAC Name[3-(furan-2-yl)-1H-indol-5-yl]-(4-thiophen-3-ylpiperazin-1-yl)methanone
SMILESO=C(c1ccc2[nH]cc(-c3ccco3)c2c1)N1CCN(c2ccsc2)CC1
InChIInChI=1S/C21H19N3O2S/c25-21(24-8-6-23(7-9-24)16-5-11-27-14-16)15-3-4-19-17(12-15)18(13-22-19)20-2-1-10-26-20/h1-5,10-14,22H,6-9H2
InChIKeyIQAQEUZBYIAKSD-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-3-ylpiperazin-1-yl)methanone?
The IUPAC name of [3-(furan-2-yl)-1H-indol-5-yl]-(4-thiophen-3-ylpiperazin-1-yl)methanone (CID 22727389) is [3-(furan-2-yl)-1H-indol-5-yl]-(4-thiophen-3-ylpiperazin-1-yl)methanone.
What is the SMILES notation for [3-(furan-2-yl)-1H-indol-5-yl]-(4-thiophen-3-ylpiperazin-1-yl)methanone?
The canonical SMILES for [3-(furan-2-yl)-1H-indol-5-yl]-(4-thiophen-3-ylpiperazin-1-yl)methanone is O=C(c1ccc2[nH]cc(-c3ccco3)c2c1)N1CCN(c2ccsc2)CC1.
What is the InChIKey of [3-(furan-2-yl)-1H-indol-5-yl]-(4-thiophen-3-ylpiperazin-1-yl)methanone?
The InChIKey is IQAQEUZBYIAKSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O2S/c25-21(24-8-6-23(7-9-24)16-5-11-27-14-16)15-3-4-19-17(12-15)18(13-22-19)20-2-1-10-26-20/h1-5,10-14,22H,6-9H2.
What are the key properties of [3-(furan-2-yl)-1H-indol-5-yl]-(4-thiophen-3-ylpiperazin-1-yl)methanone?
[3-(furan-2-yl)-1H-indol-5-yl]-(4-thiophen-3-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-3-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 22727389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).