3-(1H-indol-4-yl)-5-(3-methylsulfonylimidazo[1,5-a]pyridin-1-yl)-1,2,4-oxadiazole

C18H13N5O3S — CID 154752748

IUPAC3-(1H-indol-4-yl)-5-(3-methylsulfonylimidazo[1,5-a]pyridin-1-yl)-1,2,4-oxadiazole
SMILESCS(=O)(=O)c1nc(-c2nc(-c3cccc4[nH]ccc34)no2)c2ccccn12
InChIInChI=1S/C18H13N5O3S/c1-27(24,25)18-20-15(14-7-2-3-10-23(14)18)17-21-16(22-26-17)12-5-4-6-13-11(12)8-9-19-13/h2-10,19H,1H3
InChIKeyHGZCKAGJKLRXNG-UHFFFAOYSA-N
MW379.40 g/mol
LogP2.94
Rot. Bonds3

About 3-(1H-indol-4-yl)-5-(3-methylsulfonylimidazo[1,5-a]pyridin-1-yl)-1,2,4-oxadiazole

3-(1H-indol-4-yl)-5-(3-methylsulfonylimidazo[1,5-a]pyridin-1-yl)-1,2,4-oxadiazole (PubChem CID 154752748) has the molecular formula C18H13N5O3S and a molecular weight of 379.40 g/mol. Its IUPAC name is 3-(1H-indol-4-yl)-5-(3-methylsulfonylimidazo[1,5-a]pyridin-1-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(1H-indol-4-yl)-5-(3-methylsulfonylimidazo[1,5-a]pyridin-1-yl)-1,2,4-oxadiazole
PubChem CID154752748
Molecular FormulaC18H13N5O3S
Molecular Weight379.40 g/mol
Exact Mass379.07
IUPAC Name3-(1H-indol-4-yl)-5-(3-methylsulfonylimidazo[1,5-a]pyridin-1-yl)-1,2,4-oxadiazole
SMILESCS(=O)(=O)c1nc(-c2nc(-c3cccc4[nH]ccc34)no2)c2ccccn12
InChIInChI=1S/C18H13N5O3S/c1-27(24,25)18-20-15(14-7-2-3-10-23(14)18)17-21-16(22-26-17)12-5-4-6-13-11(12)8-9-19-13/h2-10,19H,1H3
InChIKeyHGZCKAGJKLRXNG-UHFFFAOYSA-N
XLogP2.94
TPSA106.15 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.40
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(1H-indol-4-yl)-5-(3-methylsulfonylimidazo[1,5-a]pyridin-1-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-(1H-indol-4-yl)-5-(3-methylsulfonylimidazo[1,5-a]pyridin-1-yl)-1,2,4-oxadiazole (CID 154752748) is 3-(1H-indol-4-yl)-5-(3-methylsulfonylimidazo[1,5-a]pyridin-1-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(1H-indol-4-yl)-5-(3-methylsulfonylimidazo[1,5-a]pyridin-1-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(1H-indol-4-yl)-5-(3-methylsulfonylimidazo[1,5-a]pyridin-1-yl)-1,2,4-oxadiazole is CS(=O)(=O)c1nc(-c2nc(-c3cccc4[nH]ccc34)no2)c2ccccn12.
What is the InChIKey of 3-(1H-indol-4-yl)-5-(3-methylsulfonylimidazo[1,5-a]pyridin-1-yl)-1,2,4-oxadiazole?
The InChIKey is HGZCKAGJKLRXNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N5O3S/c1-27(24,25)18-20-15(14-7-2-3-10-23(14)18)17-21-16(22-26-17)12-5-4-6-13-11(12)8-9-19-13/h2-10,19H,1H3.
What are the key properties of 3-(1H-indol-4-yl)-5-(3-methylsulfonylimidazo[1,5-a]pyridin-1-yl)-1,2,4-oxadiazole?
3-(1H-indol-4-yl)-5-(3-methylsulfonylimidazo[1,5-a]pyridin-1-yl)-1,2,4-oxadiazole has a molecular weight of 379.40 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indol-4-yl)-5-(3-methylsulfonylimidazo[1,5-a]pyridin-1-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 154752748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).