3-(6-piperidin-1-yl-3-pyridinyl)-5-(4-pyrazol-1-ylpiperidin-4-yl)-1,2,4-oxadiazole

C20H25N7O — CID 120955741

IUPAC3-(6-piperidin-1-yl-3-pyridinyl)-5-(4-pyrazol-1-ylpiperidin-4-yl)-1,2,4-oxadiazole
SMILESc1cnn(C2(c3nc(-c4ccc(N5CCCCC5)nc4)no3)CCNCC2)c1
InChIInChI=1S/C20H25N7O/c1-2-12-26(13-3-1)17-6-5-16(15-22-17)18-24-19(28-25-18)20(7-10-21-11-8-20)27-14-4-9-23-27/h4-6,9,14-15,21H,1-3,7-8,10-13H2
InChIKeyAGKHFFOMRFYJRO-UHFFFAOYSA-N
MW379.47 g/mol
LogP2.45
Rot. Bonds4

About 3-(6-piperidin-1-yl-3-pyridinyl)-5-(4-pyrazol-1-ylpiperidin-4-yl)-1,2,4-oxadiazole

3-(6-piperidin-1-yl-3-pyridinyl)-5-(4-pyrazol-1-ylpiperidin-4-yl)-1,2,4-oxadiazole (PubChem CID 120955741) has the molecular formula C20H25N7O and a molecular weight of 379.47 g/mol. Its IUPAC name is 3-(6-piperidin-1-yl-3-pyridinyl)-5-(4-pyrazol-1-ylpiperidin-4-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(6-piperidin-1-yl-3-pyridinyl)-5-(4-pyrazol-1-ylpiperidin-4-yl)-1,2,4-oxadiazole
PubChem CID120955741
Molecular FormulaC20H25N7O
Molecular Weight379.47 g/mol
Exact Mass379.21
IUPAC Name3-(6-piperidin-1-yl-3-pyridinyl)-5-(4-pyrazol-1-ylpiperidin-4-yl)-1,2,4-oxadiazole
SMILESc1cnn(C2(c3nc(-c4ccc(N5CCCCC5)nc4)no3)CCNCC2)c1
InChIInChI=1S/C20H25N7O/c1-2-12-26(13-3-1)17-6-5-16(15-22-17)18-24-19(28-25-18)20(7-10-21-11-8-20)27-14-4-9-23-27/h4-6,9,14-15,21H,1-3,7-8,10-13H2
InChIKeyAGKHFFOMRFYJRO-UHFFFAOYSA-N
XLogP2.45
TPSA84.90 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.47
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 3-(6-piperidin-1-yl-3-pyridinyl)-5-(4-pyrazol-1-ylpiperidin-4-yl)-1,2,4-oxadiazole with MolForge

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Related Compounds

3-(4-ethylphenyl)-5-(4-pyrazol-1-ylpiperidin-4-yl)-1,2,4-oxadiazole;hydrochloride
CID 120955540
5-[(3aS,6aS)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3a-yl]-3-(6-piperidin-1-yl-3-pyridinyl)-1,2,4-oxadiazole
CID 120839171
3-pyrazin-2-yl-5-(4-pyrazol-1-ylpiperidin-4-yl)-1,2,4-oxadiazole;hydrochloride
CID 120955874
5-(4-pyrazol-1-ylpiperidin-4-yl)-3-thiophen-2-yl-1,2,4-oxadiazole
CID 120955600
3-isoquinolin-1-yl-5-(4-pyrazol-1-ylpiperidin-4-yl)-1,2,4-oxadiazole;hydrochloride
CID 120955566
3-phenyl-5-(6-piperidin-1-yl-3-pyridinyl)-1,2,4-oxadiazole
CID 53037161
5-[4-(methoxymethyl)piperidin-4-yl]-3-(4-piperidin-1-ylphenyl)-1,2,4-oxadiazole
CID 120841643
5-(4-methylphenyl)-3-(6-pyrazol-1-yl-3-pyridinyl)-1,2,4-oxadiazole
CID 53171722
3-[(4-fluorophenoxy)methyl]-5-(4-pyrazol-1-ylpiperidin-4-yl)-1,2,4-oxadiazole
CID 120955905
[3-[5-(6-pyrrolidin-1-yl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]phenyl]methanol
CID 129215030
(3aS,6aS)-3a-[3-[6-(2-methylimidazol-1-yl)-3-pyridinyl]-1,2,4-oxadiazol-5-yl]-1,3,4,5,6,6a-hexahydrofuro[3,4-c]pyrrole
CID 138003232
5-(2,3-dihydro-1H-isoindol-5-yl)-3-[6-(4-methyl-1,4-diazepan-1-yl)-3-pyridinyl]-1,2,4-oxadiazole
CID 167929269

Frequently Asked Questions

What is the IUPAC name of 3-(6-piperidin-1-yl-3-pyridinyl)-5-(4-pyrazol-1-ylpiperidin-4-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-(6-piperidin-1-yl-3-pyridinyl)-5-(4-pyrazol-1-ylpiperidin-4-yl)-1,2,4-oxadiazole (CID 120955741) is 3-(6-piperidin-1-yl-3-pyridinyl)-5-(4-pyrazol-1-ylpiperidin-4-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(6-piperidin-1-yl-3-pyridinyl)-5-(4-pyrazol-1-ylpiperidin-4-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(6-piperidin-1-yl-3-pyridinyl)-5-(4-pyrazol-1-ylpiperidin-4-yl)-1,2,4-oxadiazole is c1cnn(C2(c3nc(-c4ccc(N5CCCCC5)nc4)no3)CCNCC2)c1.
What is the InChIKey of 3-(6-piperidin-1-yl-3-pyridinyl)-5-(4-pyrazol-1-ylpiperidin-4-yl)-1,2,4-oxadiazole?
The InChIKey is AGKHFFOMRFYJRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N7O/c1-2-12-26(13-3-1)17-6-5-16(15-22-17)18-24-19(28-25-18)20(7-10-21-11-8-20)27-14-4-9-23-27/h4-6,9,14-15,21H,1-3,7-8,10-13H2.
What are the key properties of 3-(6-piperidin-1-yl-3-pyridinyl)-5-(4-pyrazol-1-ylpiperidin-4-yl)-1,2,4-oxadiazole?
3-(6-piperidin-1-yl-3-pyridinyl)-5-(4-pyrazol-1-ylpiperidin-4-yl)-1,2,4-oxadiazole has a molecular weight of 379.47 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-piperidin-1-yl-3-pyridinyl)-5-(4-pyrazol-1-ylpiperidin-4-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 120955741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).