5-[3-amino-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-N-piperidin-4-yl-1,3,4-oxadiazol-2-amine;molecular hydrogen

C20H33N7O3S — CID 159152834

About 5-[3-amino-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-N-piperidin-4-yl-1,3,4-oxadiazol-2-amine;molecular hydrogen

5-[3-amino-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-N-piperidin-4-yl-1,3,4-oxadiazol-2-amine;molecular hydrogen (PubChem CID 159152834) has the molecular formula C20H33N7O3S and a molecular weight of 451.60 g/mol. Its IUPAC name is 5-[3-amino-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-N-piperidin-4-yl-1,3,4-oxadiazol-2-amine;molecular hydrogen.

Molecular Properties

• Compound Name: 5-[3-amino-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-N-piperidin-4-yl-1,3,4-oxadiazol-2-amine;molecular hydrogen
• PubChem CID: 159152834
• Molecular Formula: C20H33N7O3S
• Molecular Weight: 451.60 g/mol
• Exact Mass: 451.24
• IUPAC Name: 5-[3-amino-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-N-piperidin-4-yl-1,3,4-oxadiazol-2-amine;molecular hydrogen
• SMILES: CC(C)S(=O)(=O)c1ccc(-c2cnc(N)c(-c3nnc(NC4CCNCC4)o3)n2)cc1.[H][H].[H][H].[H][H].[H][H]
• InChI: InChI=1S/C20H25N7O3S.4H2/c1-12(2)31(28,29)15-5-3-13(4-6-15)16-11-23-18(21)17(25-16)19-26-27-20(30-19)24-14-7-9-22-10-8-14;;;;/h3-6,11-12,14,22H,7-10H2,1-2H3,(H2,21,23)(H,24,27);4*1H
• InChIKey: KJNDQOHTKUKFEO-UHFFFAOYSA-N
• XLogP: 3.11
• TPSA: 148.92 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	451.60
LogP ≤ 5	3.11
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 5-[3-amino-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-N-piperidin-4-yl-1,3,4-oxadiazol-2-amine;molecular hydrogen?

The IUPAC name of 5-[3-amino-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-N-piperidin-4-yl-1,3,4-oxadiazol-2-amine;molecular hydrogen (CID 159152834) is 5-[3-amino-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-N-piperidin-4-yl-1,3,4-oxadiazol-2-amine;molecular hydrogen.

What is the SMILES notation for 5-[3-amino-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-N-piperidin-4-yl-1,3,4-oxadiazol-2-amine;molecular hydrogen?

The canonical SMILES for 5-[3-amino-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-N-piperidin-4-yl-1,3,4-oxadiazol-2-amine;molecular hydrogen is CC(C)S(=O)(=O)c1ccc(-c2cnc(N)c(-c3nnc(NC4CCNCC4)o3)n2)cc1.[H][H].[H][H].[H][H].[H][H].

What is the InChIKey of 5-[3-amino-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-N-piperidin-4-yl-1,3,4-oxadiazol-2-amine;molecular hydrogen?

The InChIKey is KJNDQOHTKUKFEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N7O3S.4H2/c1-12(2)31(28,29)15-5-3-13(4-6-15)16-11-23-18(21)17(25-16)19-26-27-20(30-19)24-14-7-9-22-10-8-14;;;;/h3-6,11-12,14,22H,7-10H2,1-2H3,(H2,21,23)(H,24,27);4*1H.

What are the key properties of 5-[3-amino-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-N-piperidin-4-yl-1,3,4-oxadiazol-2-amine;molecular hydrogen?

5-[3-amino-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-N-piperidin-4-yl-1,3,4-oxadiazol-2-amine;molecular hydrogen has a molecular weight of 451.60 g/mol, XLogP of 3.11, 6 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[3-amino-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-N-piperidin-4-yl-1,3,4-oxadiazol-2-amine;molecular hydrogen is sourced from PubChem (CID 159152834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).