ethyl 1-[[7-(3-phenyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]piperidine-4-carboxylate

C23H24N6O3 — CID 91893355

IUPACethyl 1-[[7-(3-phenyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(Cc2nnc3cc(-c4nc(-c5ccccc5)no4)ccn23)CC1
InChIInChI=1S/C23H24N6O3/c1-2-31-23(30)17-8-11-28(12-9-17)15-20-26-25-19-14-18(10-13-29(19)20)22-24-21(27-32-22)16-6-4-3-5-7-16/h3-7,10,13-14,17H,2,8-9,11-12,15H2,1H3
InChIKeyNIGZJVDRVOKFJU-UHFFFAOYSA-N
MW432.48 g/mol
LogP3.22
Rot. Bonds6

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

ethyl 1-[[7-(3-phenyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]piperidine-4-carboxylate (PubChem CID 91893355) has the molecular formula C23H24N6O3 and a molecular weight of 432.48 g/mol. Its IUPAC name is ethyl 1-[[7-(3-phenyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[[7-(3-phenyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]piperidine-4-carboxylate
PubChem CID91893355
Molecular FormulaC23H24N6O3
Molecular Weight432.48 g/mol
Exact Mass432.19
IUPAC Nameethyl 1-[[7-(3-phenyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(Cc2nnc3cc(-c4nc(-c5ccccc5)no4)ccn23)CC1
InChIInChI=1S/C23H24N6O3/c1-2-31-23(30)17-8-11-28(12-9-17)15-20-26-25-19-14-18(10-13-29(19)20)22-24-21(27-32-22)16-6-4-3-5-7-16/h3-7,10,13-14,17H,2,8-9,11-12,15H2,1H3
InChIKeyNIGZJVDRVOKFJU-UHFFFAOYSA-N
XLogP3.22
TPSA98.65 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.48
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-[[7-(3-phenyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[[7-(3-phenyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]piperidine-4-carboxylate (CID 91893355) is ethyl 1-[[7-(3-phenyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[[7-(3-phenyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[[7-(3-phenyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(Cc2nnc3cc(-c4nc(-c5ccccc5)no4)ccn23)CC1.
What is the InChIKey of ethyl 1-[[7-(3-phenyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]piperidine-4-carboxylate?
The InChIKey is NIGZJVDRVOKFJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O3/c1-2-31-23(30)17-8-11-28(12-9-17)15-20-26-25-19-14-18(10-13-29(19)20)22-24-21(27-32-22)16-6-4-3-5-7-16/h3-7,10,13-14,17H,2,8-9,11-12,15H2,1H3.
What are the key properties of ethyl 1-[[7-(3-phenyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]piperidine-4-carboxylate?
ethyl 1-[[7-(3-phenyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]piperidine-4-carboxylate has a molecular weight of 432.48 g/mol, XLogP of 3.22, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[[7-(3-phenyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]piperidine-4-carboxylate is sourced from PubChem (CID 91893355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).