3-(5-phenyl-1,3,4-oxadiazol-2-yl)-5-(4-piperidin-4-ylsulfonylphenyl)pyrazin-2-amine

C23H22N6O3S — CID 59471712

IUPAC3-(5-phenyl-1,3,4-oxadiazol-2-yl)-5-(4-piperidin-4-ylsulfonylphenyl)pyrazin-2-amine
SMILESNc1ncc(-c2ccc(S(=O)(=O)C3CCNCC3)cc2)nc1-c1nnc(-c2ccccc2)o1
InChIInChI=1S/C23H22N6O3S/c24-21-20(23-29-28-22(32-23)16-4-2-1-3-5-16)27-19(14-26-21)15-6-8-17(9-7-15)33(30,31)18-10-12-25-13-11-18/h1-9,14,18,25H,10-13H2,(H2,24,26)
InChIKeyQKPYWZQPAGYNOX-UHFFFAOYSA-N
MW462.54 g/mol
LogP2.97
Rot. Bonds5

About 3-(5-phenyl-1,3,4-oxadiazol-2-yl)-5-(4-piperidin-4-ylsulfonylphenyl)pyrazin-2-amine

3-(5-phenyl-1,3,4-oxadiazol-2-yl)-5-(4-piperidin-4-ylsulfonylphenyl)pyrazin-2-amine (PubChem CID 59471712) has the molecular formula C23H22N6O3S and a molecular weight of 462.54 g/mol. Its IUPAC name is 3-(5-phenyl-1,3,4-oxadiazol-2-yl)-5-(4-piperidin-4-ylsulfonylphenyl)pyrazin-2-amine.

Molecular Properties

Compound Name3-(5-phenyl-1,3,4-oxadiazol-2-yl)-5-(4-piperidin-4-ylsulfonylphenyl)pyrazin-2-amine
PubChem CID59471712
Molecular FormulaC23H22N6O3S
Molecular Weight462.54 g/mol
Exact Mass462.15
IUPAC Name3-(5-phenyl-1,3,4-oxadiazol-2-yl)-5-(4-piperidin-4-ylsulfonylphenyl)pyrazin-2-amine
SMILESNc1ncc(-c2ccc(S(=O)(=O)C3CCNCC3)cc2)nc1-c1nnc(-c2ccccc2)o1
InChIInChI=1S/C23H22N6O3S/c24-21-20(23-29-28-22(32-23)16-4-2-1-3-5-16)27-19(14-26-21)15-6-8-17(9-7-15)33(30,31)18-10-12-25-13-11-18/h1-9,14,18,25H,10-13H2,(H2,24,26)
InChIKeyQKPYWZQPAGYNOX-UHFFFAOYSA-N
XLogP2.97
TPSA136.89 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.54
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 3-(5-phenyl-1,3,4-oxadiazol-2-yl)-5-(4-piperidin-4-ylsulfonylphenyl)pyrazin-2-amine?
The IUPAC name of 3-(5-phenyl-1,3,4-oxadiazol-2-yl)-5-(4-piperidin-4-ylsulfonylphenyl)pyrazin-2-amine (CID 59471712) is 3-(5-phenyl-1,3,4-oxadiazol-2-yl)-5-(4-piperidin-4-ylsulfonylphenyl)pyrazin-2-amine.
What is the SMILES notation for 3-(5-phenyl-1,3,4-oxadiazol-2-yl)-5-(4-piperidin-4-ylsulfonylphenyl)pyrazin-2-amine?
The canonical SMILES for 3-(5-phenyl-1,3,4-oxadiazol-2-yl)-5-(4-piperidin-4-ylsulfonylphenyl)pyrazin-2-amine is Nc1ncc(-c2ccc(S(=O)(=O)C3CCNCC3)cc2)nc1-c1nnc(-c2ccccc2)o1.
What is the InChIKey of 3-(5-phenyl-1,3,4-oxadiazol-2-yl)-5-(4-piperidin-4-ylsulfonylphenyl)pyrazin-2-amine?
The InChIKey is QKPYWZQPAGYNOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N6O3S/c24-21-20(23-29-28-22(32-23)16-4-2-1-3-5-16)27-19(14-26-21)15-6-8-17(9-7-15)33(30,31)18-10-12-25-13-11-18/h1-9,14,18,25H,10-13H2,(H2,24,26).
What are the key properties of 3-(5-phenyl-1,3,4-oxadiazol-2-yl)-5-(4-piperidin-4-ylsulfonylphenyl)pyrazin-2-amine?
3-(5-phenyl-1,3,4-oxadiazol-2-yl)-5-(4-piperidin-4-ylsulfonylphenyl)pyrazin-2-amine has a molecular weight of 462.54 g/mol, XLogP of 2.97, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-phenyl-1,3,4-oxadiazol-2-yl)-5-(4-piperidin-4-ylsulfonylphenyl)pyrazin-2-amine is sourced from PubChem (CID 59471712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).