5-(5-chloropyrazolo[1,5-a]pyridin-2-yl)-3-[(2R)-1,4-diazabicyclo[2.2.2]octan-2-yl]-1,2,4-oxadiazole

C15H15ClN6O — CID 176584886

IUPAC5-(5-chloropyrazolo[1,5-a]pyridin-2-yl)-3-[(2R)-1,4-diazabicyclo[2.2.2]octan-2-yl]-1,2,4-oxadiazole
SMILESClc1ccn2nc(-c3nc([C@H]4CN5CCN4CC5)no3)cc2c1
InChIInChI=1S/C15H15ClN6O/c16-10-1-2-22-11(7-10)8-12(18-22)15-17-14(19-23-15)13-9-20-3-5-21(13)6-4-20/h1-2,7-8,13H,3-6,9H2/t13-/m1/s1
InChIKeyBHXXSDNCKXBTKT-CYBMUJFWSA-N
MW330.78 g/mol
LogP1.71
Rot. Bonds2

About 5-(5-chloropyrazolo[1,5-a]pyridin-2-yl)-3-[(2R)-1,4-diazabicyclo[2.2.2]octan-2-yl]-1,2,4-oxadiazole

5-(5-chloropyrazolo[1,5-a]pyridin-2-yl)-3-[(2R)-1,4-diazabicyclo[2.2.2]octan-2-yl]-1,2,4-oxadiazole (PubChem CID 176584886) has the molecular formula C15H15ClN6O and a molecular weight of 330.78 g/mol. Its IUPAC name is 5-(5-chloropyrazolo[1,5-a]pyridin-2-yl)-3-[(2R)-1,4-diazabicyclo[2.2.2]octan-2-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(5-chloropyrazolo[1,5-a]pyridin-2-yl)-3-[(2R)-1,4-diazabicyclo[2.2.2]octan-2-yl]-1,2,4-oxadiazole
PubChem CID176584886
Molecular FormulaC15H15ClN6O
Molecular Weight330.78 g/mol
Exact Mass330.10
IUPAC Name5-(5-chloropyrazolo[1,5-a]pyridin-2-yl)-3-[(2R)-1,4-diazabicyclo[2.2.2]octan-2-yl]-1,2,4-oxadiazole
SMILESClc1ccn2nc(-c3nc([C@H]4CN5CCN4CC5)no3)cc2c1
InChIInChI=1S/C15H15ClN6O/c16-10-1-2-22-11(7-10)8-12(18-22)15-17-14(19-23-15)13-9-20-3-5-21(13)6-4-20/h1-2,7-8,13H,3-6,9H2/t13-/m1/s1
InChIKeyBHXXSDNCKXBTKT-CYBMUJFWSA-N
XLogP1.71
TPSA62.70 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.78
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-chloro-4-[3-(1,4-diazabicyclo[2.2.2]octan-2-yl)-1,2,4-oxadiazol-5-yl]aniline
CID 79959995
4-[3-(1,4-diazabicyclo[2.2.2]octan-2-yl)-1,2,4-oxadiazol-5-yl]benzene-1,2-diol
CID 136904480
2-[3-(1,4-diazabicyclo[2.2.2]octan-2-yl)-1,2,4-oxadiazol-5-yl]-3-fluorophenol
CID 136789949
4-bromo-2-[3-(1,4-diazabicyclo[2.2.2]octan-2-yl)-1,2,4-oxadiazol-5-yl]aniline
CID 79959604
3-(1,4-diazabicyclo[2.2.2]octan-2-yl)-5-(1-piperazin-1-ylethyl)-1,2,4-oxadiazole
CID 79959615
cyclohexyl-[3-(1,4-diazabicyclo[2.2.2]octan-2-yl)-1,2,4-oxadiazol-5-yl]methanamine
CID 79959997
3-[3-(1,4-diazabicyclo[2.2.2]octan-2-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 106743552
5-(5-cyclopropyl-1-methylpyrazol-3-yl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
CID 120959189
3-(1,4-diazabicyclo[2.2.2]octan-2-yl)-5-(diethoxymethyl)-1,2,4-oxadiazole
CID 79974799
3-[3-(1,4-diazabicyclo[2.2.2]octan-2-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 80540143
5-[3-(3-chlorophenyl)-1,2-oxazol-5-yl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride
CID 120959246
5-[3-(1,4-diazabicyclo[2.2.2]octan-2-yl)-1,2,4-oxadiazol-5-yl]-3,3-dimethylpentan-1-amine
CID 79959602

Frequently Asked Questions

What is the IUPAC name of 5-(5-chloropyrazolo[1,5-a]pyridin-2-yl)-3-[(2R)-1,4-diazabicyclo[2.2.2]octan-2-yl]-1,2,4-oxadiazole?
The IUPAC name of 5-(5-chloropyrazolo[1,5-a]pyridin-2-yl)-3-[(2R)-1,4-diazabicyclo[2.2.2]octan-2-yl]-1,2,4-oxadiazole (CID 176584886) is 5-(5-chloropyrazolo[1,5-a]pyridin-2-yl)-3-[(2R)-1,4-diazabicyclo[2.2.2]octan-2-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-(5-chloropyrazolo[1,5-a]pyridin-2-yl)-3-[(2R)-1,4-diazabicyclo[2.2.2]octan-2-yl]-1,2,4-oxadiazole?
The canonical SMILES for 5-(5-chloropyrazolo[1,5-a]pyridin-2-yl)-3-[(2R)-1,4-diazabicyclo[2.2.2]octan-2-yl]-1,2,4-oxadiazole is Clc1ccn2nc(-c3nc([C@H]4CN5CCN4CC5)no3)cc2c1.
What is the InChIKey of 5-(5-chloropyrazolo[1,5-a]pyridin-2-yl)-3-[(2R)-1,4-diazabicyclo[2.2.2]octan-2-yl]-1,2,4-oxadiazole?
The InChIKey is BHXXSDNCKXBTKT-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H15ClN6O/c16-10-1-2-22-11(7-10)8-12(18-22)15-17-14(19-23-15)13-9-20-3-5-21(13)6-4-20/h1-2,7-8,13H,3-6,9H2/t13-/m1/s1.
What are the key properties of 5-(5-chloropyrazolo[1,5-a]pyridin-2-yl)-3-[(2R)-1,4-diazabicyclo[2.2.2]octan-2-yl]-1,2,4-oxadiazole?
5-(5-chloropyrazolo[1,5-a]pyridin-2-yl)-3-[(2R)-1,4-diazabicyclo[2.2.2]octan-2-yl]-1,2,4-oxadiazole has a molecular weight of 330.78 g/mol, XLogP of 1.71, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-chloropyrazolo[1,5-a]pyridin-2-yl)-3-[(2R)-1,4-diazabicyclo[2.2.2]octan-2-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 176584886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).