6-[5-[6-[4-[1-(dimethylamino)ethenyl]phenyl]-3-methylpyrazin-2-yl]-1,3,4-oxadiazol-2-yl]pyridin-2-amine;N,N-dimethyl-1-[4-[5-methyl-6-[5-[2-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]phenyl]ethenamine;2-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-5-(1,2,3,6-tetrahydropyridin-4-yl)-1,3,4-oxadiazole;molecular hydrogen

C67H76F3N17O5S — CID 159132347

About 6-[5-[6-[4-[1-(dimethylamino)ethenyl]phenyl]-3-methylpyrazin-2-yl]-1,3,4-oxadiazol-2-yl]pyridin-2-amine;N,N-dimethyl-1-[4-[5-methyl-6-[5-[2-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]phenyl]ethenamine;2-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-5-(1,2,3,6-tetrahydropyridin-4-yl)-1,3,4-oxadiazole;molecular hydrogen

6-[5-[6-[4-[1-(dimethylamino)ethenyl]phenyl]-3-methylpyrazin-2-yl]-1,3,4-oxadiazol-2-yl]pyridin-2-amine;N,N-dimethyl-1-[4-[5-methyl-6-[5-[2-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]phenyl]ethenamine;2-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-5-(1,2,3,6-tetrahydropyridin-4-yl)-1,3,4-oxadiazole;molecular hydrogen (PubChem CID 159132347) has the molecular formula C67H76F3N17O5S and a molecular weight of 1288.52 g/mol. Its IUPAC name is 6-[5-[6-[4-[1-(dimethylamino)ethenyl]phenyl]-3-methylpyrazin-2-yl]-1,3,4-oxadiazol-2-yl]pyridin-2-amine;N,N-dimethyl-1-[4-[5-methyl-6-[5-[2-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]phenyl]ethenamine;2-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-5-(1,2,3,6-tetrahydropyridin-4-yl)-1,3,4-oxadiazole;molecular hydrogen.

Molecular Properties

• Compound Name: 6-[5-[6-[4-[1-(dimethylamino)ethenyl]phenyl]-3-methylpyrazin-2-yl]-1,3,4-oxadiazol-2-yl]pyridin-2-amine;N,N-dimethyl-1-[4-[5-methyl-6-[5-[2-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]phenyl]ethenamine;2-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-5-(1,2,3,6-tetrahydropyridin-4-yl)-1,3,4-oxadiazole;molecular hydrogen
• PubChem CID: 159132347
• Molecular Formula: C67H76F3N17O5S
• Molecular Weight: 1288.52 g/mol
• Exact Mass: 1287.59
• IUPAC Name: 6-[5-[6-[4-[1-(dimethylamino)ethenyl]phenyl]-3-methylpyrazin-2-yl]-1,3,4-oxadiazol-2-yl]pyridin-2-amine;N,N-dimethyl-1-[4-[5-methyl-6-[5-[2-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]phenyl]ethenamine;2-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-5-(1,2,3,6-tetrahydropyridin-4-yl)-1,3,4-oxadiazole;molecular hydrogen
• SMILES: C=C(c1ccc(-c2cnc(C)c(-c3nnc(-c4cccc(N)n4)o3)n2)cc1)N(C)C.C=C(c1ccc(-c2cnc(C)c(-c3nnc(-c4ccccc4C(F)(F)F)o3)n2)cc1)N(C)C.Cc1ncc(-c2ccc(S(=O)(=O)C(C)C)cc2)nc1-c1nnc(C2=CCNCC2)o1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H]
• InChI: InChI=1S/C24H20F3N5O.C22H21N7O.C21H23N5O3S.6H2/c1-14-21(23-31-30-22(33-23)18-7-5-6-8-19(18)24(25,26)27)29-20(13-28-14)17-11-9-16(10-12-17)15(2)32(3)4;1-13-20(22-28-27-21(30-22)17-6-5-7-19(23)25-17)26-18(12-24-13)16-10-8-15(9-11-16)14(2)29(3)4;1-13(2)30(27,28)17-6-4-15(5-7-17)18-12-23-14(3)19(24-18)21-26-25-20(29-21)16-8-10-22-11-9-16;;;;;;/h5-13H,2H2,1,3-4H3;5-12H,2H2,1,3-4H3,(H2,23,25);4-8,12-13,22H,9-11H2,1-3H3;6*1H
• InChIKey: KHBBCIGMHAWCGM-UHFFFAOYSA-N
• XLogP: 13.94
• TPSA: 285.66 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 22
• Rotatable Bonds: 15
• Heavy Atoms: 93
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1288.52
LogP ≤ 5	13.94
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	22

Frequently Asked Questions

What is the IUPAC name of 6-[5-[6-[4-[1-(dimethylamino)ethenyl]phenyl]-3-methylpyrazin-2-yl]-1,3,4-oxadiazol-2-yl]pyridin-2-amine;N,N-dimethyl-1-[4-[5-methyl-6-[5-[2-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]phenyl]ethenamine;2-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-5-(1,2,3,6-tetrahydropyridin-4-yl)-1,3,4-oxadiazole;molecular hydrogen?

The IUPAC name of 6-[5-[6-[4-[1-(dimethylamino)ethenyl]phenyl]-3-methylpyrazin-2-yl]-1,3,4-oxadiazol-2-yl]pyridin-2-amine;N,N-dimethyl-1-[4-[5-methyl-6-[5-[2-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]phenyl]ethenamine;2-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-5-(1,2,3,6-tetrahydropyridin-4-yl)-1,3,4-oxadiazole;molecular hydrogen (CID 159132347) is 6-[5-[6-[4-[1-(dimethylamino)ethenyl]phenyl]-3-methylpyrazin-2-yl]-1,3,4-oxadiazol-2-yl]pyridin-2-amine;N,N-dimethyl-1-[4-[5-methyl-6-[5-[2-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]phenyl]ethenamine;2-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-5-(1,2,3,6-tetrahydropyridin-4-yl)-1,3,4-oxadiazole;molecular hydrogen.

What is the SMILES notation for 6-[5-[6-[4-[1-(dimethylamino)ethenyl]phenyl]-3-methylpyrazin-2-yl]-1,3,4-oxadiazol-2-yl]pyridin-2-amine;N,N-dimethyl-1-[4-[5-methyl-6-[5-[2-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]phenyl]ethenamine;2-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-5-(1,2,3,6-tetrahydropyridin-4-yl)-1,3,4-oxadiazole;molecular hydrogen?

The canonical SMILES for 6-[5-[6-[4-[1-(dimethylamino)ethenyl]phenyl]-3-methylpyrazin-2-yl]-1,3,4-oxadiazol-2-yl]pyridin-2-amine;N,N-dimethyl-1-[4-[5-methyl-6-[5-[2-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]phenyl]ethenamine;2-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-5-(1,2,3,6-tetrahydropyridin-4-yl)-1,3,4-oxadiazole;molecular hydrogen is C=C(c1ccc(-c2cnc(C)c(-c3nnc(-c4cccc(N)n4)o3)n2)cc1)N(C)C.C=C(c1ccc(-c2cnc(C)c(-c3nnc(-c4ccccc4C(F)(F)F)o3)n2)cc1)N(C)C.Cc1ncc(-c2ccc(S(=O)(=O)C(C)C)cc2)nc1-c1nnc(C2=CCNCC2)o1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].

What is the InChIKey of 6-[5-[6-[4-[1-(dimethylamino)ethenyl]phenyl]-3-methylpyrazin-2-yl]-1,3,4-oxadiazol-2-yl]pyridin-2-amine;N,N-dimethyl-1-[4-[5-methyl-6-[5-[2-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]phenyl]ethenamine;2-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-5-(1,2,3,6-tetrahydropyridin-4-yl)-1,3,4-oxadiazole;molecular hydrogen?

The InChIKey is KHBBCIGMHAWCGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F3N5O.C22H21N7O.C21H23N5O3S.6H2/c1-14-21(23-31-30-22(33-23)18-7-5-6-8-19(18)24(25,26)27)29-20(13-28-14)17-11-9-16(10-12-17)15(2)32(3)4;1-13-20(22-28-27-21(30-22)17-6-5-7-19(23)25-17)26-18(12-24-13)16-10-8-15(9-11-16)14(2)29(3)4;1-13(2)30(27,28)17-6-4-15(5-7-17)18-12-23-14(3)19(24-18)21-26-25-20(29-21)16-8-10-22-11-9-16;;;;;;/h5-13H,2H2,1,3-4H3;5-12H,2H2,1,3-4H3,(H2,23,25);4-8,12-13,22H,9-11H2,1-3H3;6*1H.

What are the key properties of 6-[5-[6-[4-[1-(dimethylamino)ethenyl]phenyl]-3-methylpyrazin-2-yl]-1,3,4-oxadiazol-2-yl]pyridin-2-amine;N,N-dimethyl-1-[4-[5-methyl-6-[5-[2-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]phenyl]ethenamine;2-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-5-(1,2,3,6-tetrahydropyridin-4-yl)-1,3,4-oxadiazole;molecular hydrogen?

6-[5-[6-[4-[1-(dimethylamino)ethenyl]phenyl]-3-methylpyrazin-2-yl]-1,3,4-oxadiazol-2-yl]pyridin-2-amine;N,N-dimethyl-1-[4-[5-methyl-6-[5-[2-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]phenyl]ethenamine;2-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-5-(1,2,3,6-tetrahydropyridin-4-yl)-1,3,4-oxadiazole;molecular hydrogen has a molecular weight of 1288.52 g/mol, XLogP of 13.94, 15 rotatable bonds, 2 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[5-[6-[4-[1-(dimethylamino)ethenyl]phenyl]-3-methylpyrazin-2-yl]-1,3,4-oxadiazol-2-yl]pyridin-2-amine;N,N-dimethyl-1-[4-[5-methyl-6-[5-[2-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]phenyl]ethenamine;2-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-5-(1,2,3,6-tetrahydropyridin-4-yl)-1,3,4-oxadiazole;molecular hydrogen is sourced from PubChem (CID 159132347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).