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

C22H23N7O3 — CID 91893364

IUPACethyl 4-[[7-(3-phenyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(Cc2nnc3cc(-c4nc(-c5ccccc5)no4)ccn23)CC1
InChIInChI=1S/C22H23N7O3/c1-2-31-22(30)28-12-10-27(11-13-28)15-19-25-24-18-14-17(8-9-29(18)19)21-23-20(26-32-21)16-6-4-3-5-7-16/h3-9,14H,2,10-13,15H2,1H3
InChIKeyWDZWFCXTBMVHIR-UHFFFAOYSA-N
MW433.47 g/mol
LogP2.72
Rot. Bonds5

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

ethyl 4-[[7-(3-phenyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]piperazine-1-carboxylate (PubChem CID 91893364) has the molecular formula C22H23N7O3 and a molecular weight of 433.47 g/mol. Its IUPAC name is ethyl 4-[[7-(3-phenyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[7-(3-phenyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]piperazine-1-carboxylate
PubChem CID91893364
Molecular FormulaC22H23N7O3
Molecular Weight433.47 g/mol
Exact Mass433.19
IUPAC Nameethyl 4-[[7-(3-phenyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(Cc2nnc3cc(-c4nc(-c5ccccc5)no4)ccn23)CC1
InChIInChI=1S/C22H23N7O3/c1-2-31-22(30)28-12-10-27(11-13-28)15-19-25-24-18-14-17(8-9-29(18)19)21-23-20(26-32-21)16-6-4-3-5-7-16/h3-9,14H,2,10-13,15H2,1H3
InChIKeyWDZWFCXTBMVHIR-UHFFFAOYSA-N
XLogP2.72
TPSA101.89 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.47
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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

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Related Compounds

1-[[7-(3-phenyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]piperidine-4-carboxamide
CID 91893356
ethyl 4-[[5-(3-bromophenyl)-1,2,4-oxadiazol-3-yl]methyl]piperazine-1-carboxylate
CID 159893934
ethyl 4-[[5-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]methyl]piperazine-1-carboxylate
CID 10045540
ethyl 4-[1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carbonyl]piperazine-1-carboxylate
CID 38114906
methyl 4-[[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]piperazine-1-carboxylate
CID 10087118
N-[[7-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-1-phenylcyclopropane-1-carboxamide
CID 91631873
2-[7-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]acetic acid
CID 66485077
2-methoxy-N-[[7-(3-propyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]benzamide
CID 91893287
N-[[7-(3-ethyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-4-methoxybenzamide
CID 91893254
ethyl 4-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoylamino]piperidine-1-carboxylate
CID 31369329
(3-methyl-1,2-oxazol-5-yl)-[4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methanone
CID 37250144
1-(4-benzylpiperazin-1-yl)-2-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]ethanone
CID 46266774

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[7-(3-phenyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[[7-(3-phenyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]piperazine-1-carboxylate (CID 91893364) is ethyl 4-[[7-(3-phenyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[[7-(3-phenyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[[7-(3-phenyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]piperazine-1-carboxylate is CCOC(=O)N1CCN(Cc2nnc3cc(-c4nc(-c5ccccc5)no4)ccn23)CC1.
What is the InChIKey of ethyl 4-[[7-(3-phenyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]piperazine-1-carboxylate?
The InChIKey is WDZWFCXTBMVHIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N7O3/c1-2-31-22(30)28-12-10-27(11-13-28)15-19-25-24-18-14-17(8-9-29(18)19)21-23-20(26-32-21)16-6-4-3-5-7-16/h3-9,14H,2,10-13,15H2,1H3.
What are the key properties of ethyl 4-[[7-(3-phenyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]piperazine-1-carboxylate?
ethyl 4-[[7-(3-phenyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]piperazine-1-carboxylate has a molecular weight of 433.47 g/mol, XLogP of 2.72, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[7-(3-phenyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]piperazine-1-carboxylate is sourced from PubChem (CID 91893364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).