2-[6-(5-ethyl-1,3,4-oxadiazol-2-yl)indol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone

C23H24N6O2 — CID 53013392

IUPAC2-[6-(5-ethyl-1,3,4-oxadiazol-2-yl)indol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
SMILESCCc1nnc(-c2ccc3ccn(CC(=O)N4CCN(c5ccccn5)CC4)c3c2)o1
InChIInChI=1S/C23H24N6O2/c1-2-21-25-26-23(31-21)18-7-6-17-8-10-29(19(17)15-18)16-22(30)28-13-11-27(12-14-28)20-5-3-4-9-24-20/h3-10,15H,2,11-14,16H2,1H3
InChIKeyAVRJSCWOPAVTLA-UHFFFAOYSA-N
MW416.49 g/mol
LogP3.00
Rot. Bonds5

About 2-[6-(5-ethyl-1,3,4-oxadiazol-2-yl)indol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone

2-[6-(5-ethyl-1,3,4-oxadiazol-2-yl)indol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone (PubChem CID 53013392) has the molecular formula C23H24N6O2 and a molecular weight of 416.49 g/mol. Its IUPAC name is 2-[6-(5-ethyl-1,3,4-oxadiazol-2-yl)indol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-[6-(5-ethyl-1,3,4-oxadiazol-2-yl)indol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
PubChem CID53013392
Molecular FormulaC23H24N6O2
Molecular Weight416.49 g/mol
Exact Mass416.20
IUPAC Name2-[6-(5-ethyl-1,3,4-oxadiazol-2-yl)indol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
SMILESCCc1nnc(-c2ccc3ccn(CC(=O)N4CCN(c5ccccn5)CC4)c3c2)o1
InChIInChI=1S/C23H24N6O2/c1-2-21-25-26-23(31-21)18-7-6-17-8-10-29(19(17)15-18)16-22(30)28-13-11-27(12-14-28)20-5-3-4-9-24-20/h3-10,15H,2,11-14,16H2,1H3
InChIKeyAVRJSCWOPAVTLA-UHFFFAOYSA-N
XLogP3.00
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.49
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(5-ethyl-1,3,4-oxadiazol-2-yl)indol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone?
The IUPAC name of 2-[6-(5-ethyl-1,3,4-oxadiazol-2-yl)indol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone (CID 53013392) is 2-[6-(5-ethyl-1,3,4-oxadiazol-2-yl)indol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-[6-(5-ethyl-1,3,4-oxadiazol-2-yl)indol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-[6-(5-ethyl-1,3,4-oxadiazol-2-yl)indol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone is CCc1nnc(-c2ccc3ccn(CC(=O)N4CCN(c5ccccn5)CC4)c3c2)o1.
What is the InChIKey of 2-[6-(5-ethyl-1,3,4-oxadiazol-2-yl)indol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone?
The InChIKey is AVRJSCWOPAVTLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O2/c1-2-21-25-26-23(31-21)18-7-6-17-8-10-29(19(17)15-18)16-22(30)28-13-11-27(12-14-28)20-5-3-4-9-24-20/h3-10,15H,2,11-14,16H2,1H3.
What are the key properties of 2-[6-(5-ethyl-1,3,4-oxadiazol-2-yl)indol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone?
2-[6-(5-ethyl-1,3,4-oxadiazol-2-yl)indol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone has a molecular weight of 416.49 g/mol, XLogP of 3.00, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(5-ethyl-1,3,4-oxadiazol-2-yl)indol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone is sourced from PubChem (CID 53013392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).