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

C22H22N6O2 — CID 53013381

IUPAC2-[6-(5-methyl-1,3,4-oxadiazol-2-yl)indol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
SMILESCc1nnc(-c2ccc3ccn(CC(=O)N4CCN(c5ccccn5)CC4)c3c2)o1
InChIInChI=1S/C22H22N6O2/c1-16-24-25-22(30-16)18-6-5-17-7-9-28(19(17)14-18)15-21(29)27-12-10-26(11-13-27)20-4-2-3-8-23-20/h2-9,14H,10-13,15H2,1H3
InChIKeyVOYKLGNNPFWYJR-UHFFFAOYSA-N
MW402.46 g/mol
LogP2.74
Rot. Bonds4

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

2-[6-(5-methyl-1,3,4-oxadiazol-2-yl)indol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone (PubChem CID 53013381) has the molecular formula C22H22N6O2 and a molecular weight of 402.46 g/mol. Its IUPAC name is 2-[6-(5-methyl-1,3,4-oxadiazol-2-yl)indol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-[6-(5-methyl-1,3,4-oxadiazol-2-yl)indol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
PubChem CID53013381
Molecular FormulaC22H22N6O2
Molecular Weight402.46 g/mol
Exact Mass402.18
IUPAC Name2-[6-(5-methyl-1,3,4-oxadiazol-2-yl)indol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
SMILESCc1nnc(-c2ccc3ccn(CC(=O)N4CCN(c5ccccn5)CC4)c3c2)o1
InChIInChI=1S/C22H22N6O2/c1-16-24-25-22(30-16)18-6-5-17-7-9-28(19(17)14-18)15-21(29)27-12-10-26(11-13-27)20-4-2-3-8-23-20/h2-9,14H,10-13,15H2,1H3
InChIKeyVOYKLGNNPFWYJR-UHFFFAOYSA-N
XLogP2.74
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.46
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(5-methyl-1,3,4-oxadiazol-2-yl)indol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone?
The IUPAC name of 2-[6-(5-methyl-1,3,4-oxadiazol-2-yl)indol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone (CID 53013381) is 2-[6-(5-methyl-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-methyl-1,3,4-oxadiazol-2-yl)indol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-[6-(5-methyl-1,3,4-oxadiazol-2-yl)indol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone is Cc1nnc(-c2ccc3ccn(CC(=O)N4CCN(c5ccccn5)CC4)c3c2)o1.
What is the InChIKey of 2-[6-(5-methyl-1,3,4-oxadiazol-2-yl)indol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone?
The InChIKey is VOYKLGNNPFWYJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6O2/c1-16-24-25-22(30-16)18-6-5-17-7-9-28(19(17)14-18)15-21(29)27-12-10-26(11-13-27)20-4-2-3-8-23-20/h2-9,14H,10-13,15H2,1H3.
What are the key properties of 2-[6-(5-methyl-1,3,4-oxadiazol-2-yl)indol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone?
2-[6-(5-methyl-1,3,4-oxadiazol-2-yl)indol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone has a molecular weight of 402.46 g/mol, XLogP of 2.74, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(5-methyl-1,3,4-oxadiazol-2-yl)indol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone is sourced from PubChem (CID 53013381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).