1-[4-[[7-(3-phenyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone

C21H21N7O2 — CID 91893361

IUPAC1-[4-[[7-(3-phenyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(Cc2nnc3cc(-c4nc(-c5ccccc5)no4)ccn23)CC1
InChIInChI=1S/C21H21N7O2/c1-15(29)27-11-9-26(10-12-27)14-19-24-23-18-13-17(7-8-28(18)19)21-22-20(25-30-21)16-5-3-2-4-6-16/h2-8,13H,9-12,14H2,1H3
InChIKeyGLIFYRZHYMTEIO-UHFFFAOYSA-N
MW403.45 g/mol
LogP2.11
Rot. Bonds4

About 1-[4-[[7-(3-phenyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone

1-[4-[[7-(3-phenyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone (PubChem CID 91893361) has the molecular formula C21H21N7O2 and a molecular weight of 403.45 g/mol. Its IUPAC name is 1-[4-[[7-(3-phenyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[[7-(3-phenyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone
PubChem CID91893361
Molecular FormulaC21H21N7O2
Molecular Weight403.45 g/mol
Exact Mass403.18
IUPAC Name1-[4-[[7-(3-phenyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(Cc2nnc3cc(-c4nc(-c5ccccc5)no4)ccn23)CC1
InChIInChI=1S/C21H21N7O2/c1-15(29)27-11-9-26(10-12-27)14-19-24-23-18-13-17(7-8-28(18)19)21-22-20(25-30-21)16-5-3-2-4-6-16/h2-8,13H,9-12,14H2,1H3
InChIKeyGLIFYRZHYMTEIO-UHFFFAOYSA-N
XLogP2.11
TPSA92.66 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.45
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 1-[4-[[7-(3-phenyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[[7-(3-phenyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[[7-(3-phenyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone (CID 91893361) is 1-[4-[[7-(3-phenyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[[7-(3-phenyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[[7-(3-phenyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone is CC(=O)N1CCN(Cc2nnc3cc(-c4nc(-c5ccccc5)no4)ccn23)CC1.
What is the InChIKey of 1-[4-[[7-(3-phenyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone?
The InChIKey is GLIFYRZHYMTEIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N7O2/c1-15(29)27-11-9-26(10-12-27)14-19-24-23-18-13-17(7-8-28(18)19)21-22-20(25-30-21)16-5-3-2-4-6-16/h2-8,13H,9-12,14H2,1H3.
What are the key properties of 1-[4-[[7-(3-phenyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone?
1-[4-[[7-(3-phenyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone has a molecular weight of 403.45 g/mol, XLogP of 2.11, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[7-(3-phenyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 91893361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).