3-[5-[6-[4-[1-(dimethylamino)ethenyl]phenyl]-3-methylpyrazin-2-yl]-1,3,4-oxadiazol-2-yl]-1H-pyridin-2-one;5-[6-[4-[1-(dimethylamino)ethenyl]phenyl]-3-methylpyrazin-2-yl]-N-piperidin-4-yl-1,3,4-oxadiazol-2-amine;N,N-dimethyl-1-[4-[5-methyl-6-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]ethenamine;N,N-dimethyl-1-[4-[5-methyl-6-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]ethenamine;molecular hydrogen
C87H100N24O5S — CID 158748454
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPAC3-[5-[6-[4-[1-(dimethylamino)ethenyl]phenyl]-3-methylpyrazin-2-yl]-1,3,4-oxadiazol-2-yl]-1H-pyridin-2-one;5-[6-[4-[1-(dimethylamino)ethenyl]phenyl]-3-methylpyrazin-2-yl]-N-piperidin-4-yl-1,3,4-oxadiazol-2-amine;N,N-dimethyl-1-[4-[5-methyl-6-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]ethenamine;N,N-dimethyl-1-[4-[5-methyl-6-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]ethenamine;molecular hydrogen
SMILESC=C(c1ccc(-c2cnc(C)c(-c3nnc(-c4ccc[nH]c4=O)o3)n2)cc1)N(C)C.C=C(c1ccc(-c2cnc(C)c(-c3nnc(-c4ccccn4)o3)n2)cc1)N(C)C.C=C(c1ccc(-c2cnc(C)c(-c3nnc(-c4cccs4)o3)n2)cc1)N(C)C.C=C(c1ccc(-c2cnc(C)c(-c3nnc(NC4CCNCC4)o3)n2)cc1)N(C)C.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C22H27N7O.C22H20N6O2.C22H20N6O.C21H19N5OS.7H2/c1-14-20(21-27-28-22(30-21)25-18-9-11-23-12-10-18)26-19(13-24-14)17-7-5-16(6-8-17)15(2)29(3)4;1-13-19(22-27-26-21(30-22)17-6-5-11-23-20(17)29)25-18(12-24-13)16-9-7-15(8-10-16)14(2)28(3)4;1-14-20(22-27-26-21(29-22)18-7-5-6-12-23-18)25-19(13-24-14)17-10-8-16(9-11-17)15(2)28(3)4;1-13-19(21-25-24-20(27-21)18-6-5-11-28-18)23-17(12-22-13)16-9-7-15(8-10-16)14(2)26(3)4;;;;;;;/h5-8,13,18,23H,2,9-12H2,1,3-4H3,(H,25,28);5-12H,2H2,1,3-4H3,(H,23,29);5-13H,2H2,1,3-4H3;5-12H,2H2,1,3-4H3;7*1H
InChIKeyINDZJPFVUKMVTD-UHFFFAOYSA-N
MW1593.99 g/mol
LogP17.17
Rot. Bonds21
About 3-[5-[6-[4-[1-(dimethylamino)ethenyl]phenyl]-3-methylpyrazin-2-yl]-1,3,4-oxadiazol-2-yl]-1H-pyridin-2-one;5-[6-[4-[1-(dimethylamino)ethenyl]phenyl]-3-methylpyrazin-2-yl]-N-piperidin-4-yl-1,3,4-oxadiazol-2-amine;N,N-dimethyl-1-[4-[5-methyl-6-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]ethenamine;N,N-dimethyl-1-[4-[5-methyl-6-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]ethenamine;molecular hydrogen
3-[5-[6-[4-[1-(dimethylamino)ethenyl]phenyl]-3-methylpyrazin-2-yl]-1,3,4-oxadiazol-2-yl]-1H-pyridin-2-one;5-[6-[4-[1-(dimethylamino)ethenyl]phenyl]-3-methylpyrazin-2-yl]-N-piperidin-4-yl-1,3,4-oxadiazol-2-amine;N,N-dimethyl-1-[4-[5-methyl-6-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]ethenamine;N,N-dimethyl-1-[4-[5-methyl-6-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]ethenamine;molecular hydrogen (PubChem CID 158748454) has the molecular formula C87H100N24O5S and a molecular weight of 1593.99 g/mol. Its IUPAC name is 3-[5-[6-[4-[1-(dimethylamino)ethenyl]phenyl]-3-methylpyrazin-2-yl]-1,3,4-oxadiazol-2-yl]-1H-pyridin-2-one;5-[6-[4-[1-(dimethylamino)ethenyl]phenyl]-3-methylpyrazin-2-yl]-N-piperidin-4-yl-1,3,4-oxadiazol-2-amine;N,N-dimethyl-1-[4-[5-methyl-6-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]ethenamine;N,N-dimethyl-1-[4-[5-methyl-6-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]ethenamine;molecular hydrogen.
Molecular Properties
| Compound Name | 3-[5-[6-[4-[1-(dimethylamino)ethenyl]phenyl]-3-methylpyrazin-2-yl]-1,3,4-oxadiazol-2-yl]-1H-pyridin-2-one;5-[6-[4-[1-(dimethylamino)ethenyl]phenyl]-3-methylpyrazin-2-yl]-N-piperidin-4-yl-1,3,4-oxadiazol-2-amine;N,N-dimethyl-1-[4-[5-methyl-6-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]ethenamine;N,N-dimethyl-1-[4-[5-methyl-6-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]ethenamine;molecular hydrogen |
|---|---|
| PubChem CID | 158748454 |
| Molecular Formula | C87H100N24O5S |
| Molecular Weight | 1593.99 g/mol |
| Exact Mass | 1592.80 |
| IUPAC Name | 3-[5-[6-[4-[1-(dimethylamino)ethenyl]phenyl]-3-methylpyrazin-2-yl]-1,3,4-oxadiazol-2-yl]-1H-pyridin-2-one;5-[6-[4-[1-(dimethylamino)ethenyl]phenyl]-3-methylpyrazin-2-yl]-N-piperidin-4-yl-1,3,4-oxadiazol-2-amine;N,N-dimethyl-1-[4-[5-methyl-6-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]ethenamine;N,N-dimethyl-1-[4-[5-methyl-6-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]ethenamine;molecular hydrogen |
| SMILES | C=C(c1ccc(-c2cnc(C)c(-c3nnc(-c4ccc[nH]c4=O)o3)n2)cc1)N(C)C.C=C(c1ccc(-c2cnc(C)c(-c3nnc(-c4ccccn4)o3)n2)cc1)N(C)C.C=C(c1ccc(-c2cnc(C)c(-c3nnc(-c4cccs4)o3)n2)cc1)N(C)C.C=C(c1ccc(-c2cnc(C)c(-c3nnc(NC4CCNCC4)o3)n2)cc1)N(C)C.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H] |
| InChI | InChI=1S/C22H27N7O.C22H20N6O2.C22H20N6O.C21H19N5OS.7H2/c1-14-20(21-27-28-22(30-21)25-18-9-11-23-12-10-18)26-19(13-24-14)17-7-5-16(6-8-17)15(2)29(3)4;1-13-19(22-27-26-21(30-22)17-6-5-11-23-20(17)29)25-18(12-24-13)16-9-7-15(8-10-16)14(2)28(3)4;1-14-20(22-27-26-21(29-22)18-7-5-6-12-23-18)25-19(13-24-14)17-10-8-16(9-11-17)15(2)28(3)4;1-13-19(21-25-24-20(27-21)18-6-5-11-28-18)23-17(12-22-13)16-9-7-15(8-10-16)14(2)26(3)4;;;;;;;/h5-8,13,18,23H,2,9-12H2,1,3-4H3,(H,25,28);5-12H,2H2,1,3-4H3,(H,23,29);5-13H,2H2,1,3-4H3;5-12H,2H2,1,3-4H3;7*1H |
| InChIKey | INDZJPFVUKMVTD-UHFFFAOYSA-N |
| XLogP | 17.17 |
| TPSA | 341.57 Ų |
| H-Bond Donors | 3 |
| H-Bond Acceptors | 29 |
| Rotatable Bonds | 21 |
| Heavy Atoms | 117 |
| Complexity | — |
Lipinski Rule of Five
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1593.99 |
| LogP ≤ 5 | 17.17 |
| H-Bond Donors ≤ 5 | 3 |
| H-Bond Acceptors ≤ 10 | 29 |
Frequently Asked Questions
What is the IUPAC name of 3-[5-[6-[4-[1-(dimethylamino)ethenyl]phenyl]-3-methylpyrazin-2-yl]-1,3,4-oxadiazol-2-yl]-1H-pyridin-2-one;5-[6-[4-[1-(dimethylamino)ethenyl]phenyl]-3-methylpyrazin-2-yl]-N-piperidin-4-yl-1,3,4-oxadiazol-2-amine;N,N-dimethyl-1-[4-[5-methyl-6-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]ethenamine;N,N-dimethyl-1-[4-[5-methyl-6-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]ethenamine;molecular hydrogen?
The IUPAC name of 3-[5-[6-[4-[1-(dimethylamino)ethenyl]phenyl]-3-methylpyrazin-2-yl]-1,3,4-oxadiazol-2-yl]-1H-pyridin-2-one;5-[6-[4-[1-(dimethylamino)ethenyl]phenyl]-3-methylpyrazin-2-yl]-N-piperidin-4-yl-1,3,4-oxadiazol-2-amine;N,N-dimethyl-1-[4-[5-methyl-6-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]ethenamine;N,N-dimethyl-1-[4-[5-methyl-6-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]ethenamine;molecular hydrogen (CID 158748454) is 3-[5-[6-[4-[1-(dimethylamino)ethenyl]phenyl]-3-methylpyrazin-2-yl]-1,3,4-oxadiazol-2-yl]-1H-pyridin-2-one;5-[6-[4-[1-(dimethylamino)ethenyl]phenyl]-3-methylpyrazin-2-yl]-N-piperidin-4-yl-1,3,4-oxadiazol-2-amine;N,N-dimethyl-1-[4-[5-methyl-6-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]ethenamine;N,N-dimethyl-1-[4-[5-methyl-6-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]ethenamine;molecular hydrogen.
What is the SMILES notation for 3-[5-[6-[4-[1-(dimethylamino)ethenyl]phenyl]-3-methylpyrazin-2-yl]-1,3,4-oxadiazol-2-yl]-1H-pyridin-2-one;5-[6-[4-[1-(dimethylamino)ethenyl]phenyl]-3-methylpyrazin-2-yl]-N-piperidin-4-yl-1,3,4-oxadiazol-2-amine;N,N-dimethyl-1-[4-[5-methyl-6-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]ethenamine;N,N-dimethyl-1-[4-[5-methyl-6-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]ethenamine;molecular hydrogen?
The canonical SMILES for 3-[5-[6-[4-[1-(dimethylamino)ethenyl]phenyl]-3-methylpyrazin-2-yl]-1,3,4-oxadiazol-2-yl]-1H-pyridin-2-one;5-[6-[4-[1-(dimethylamino)ethenyl]phenyl]-3-methylpyrazin-2-yl]-N-piperidin-4-yl-1,3,4-oxadiazol-2-amine;N,N-dimethyl-1-[4-[5-methyl-6-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]ethenamine;N,N-dimethyl-1-[4-[5-methyl-6-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]ethenamine;molecular hydrogen is C=C(c1ccc(-c2cnc(C)c(-c3nnc(-c4ccc[nH]c4=O)o3)n2)cc1)N(C)C.C=C(c1ccc(-c2cnc(C)c(-c3nnc(-c4ccccn4)o3)n2)cc1)N(C)C.C=C(c1ccc(-c2cnc(C)c(-c3nnc(-c4cccs4)o3)n2)cc1)N(C)C.C=C(c1ccc(-c2cnc(C)c(-c3nnc(NC4CCNCC4)o3)n2)cc1)N(C)C.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].
What is the InChIKey of 3-[5-[6-[4-[1-(dimethylamino)ethenyl]phenyl]-3-methylpyrazin-2-yl]-1,3,4-oxadiazol-2-yl]-1H-pyridin-2-one;5-[6-[4-[1-(dimethylamino)ethenyl]phenyl]-3-methylpyrazin-2-yl]-N-piperidin-4-yl-1,3,4-oxadiazol-2-amine;N,N-dimethyl-1-[4-[5-methyl-6-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]ethenamine;N,N-dimethyl-1-[4-[5-methyl-6-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]ethenamine;molecular hydrogen?
The InChIKey is INDZJPFVUKMVTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N7O.C22H20N6O2.C22H20N6O.C21H19N5OS.7H2/c1-14-20(21-27-28-22(30-21)25-18-9-11-23-12-10-18)26-19(13-24-14)17-7-5-16(6-8-17)15(2)29(3)4;1-13-19(22-27-26-21(30-22)17-6-5-11-23-20(17)29)25-18(12-24-13)16-9-7-15(8-10-16)14(2)28(3)4;1-14-20(22-27-26-21(29-22)18-7-5-6-12-23-18)25-19(13-24-14)17-10-8-16(9-11-17)15(2)28(3)4;1-13-19(21-25-24-20(27-21)18-6-5-11-28-18)23-17(12-22-13)16-9-7-15(8-10-16)14(2)26(3)4;;;;;;;/h5-8,13,18,23H,2,9-12H2,1,3-4H3,(H,25,28);5-12H,2H2,1,3-4H3,(H,23,29);5-13H,2H2,1,3-4H3;5-12H,2H2,1,3-4H3;7*1H.
What are the key properties of 3-[5-[6-[4-[1-(dimethylamino)ethenyl]phenyl]-3-methylpyrazin-2-yl]-1,3,4-oxadiazol-2-yl]-1H-pyridin-2-one;5-[6-[4-[1-(dimethylamino)ethenyl]phenyl]-3-methylpyrazin-2-yl]-N-piperidin-4-yl-1,3,4-oxadiazol-2-amine;N,N-dimethyl-1-[4-[5-methyl-6-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]ethenamine;N,N-dimethyl-1-[4-[5-methyl-6-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]ethenamine;molecular hydrogen?
3-[5-[6-[4-[1-(dimethylamino)ethenyl]phenyl]-3-methylpyrazin-2-yl]-1,3,4-oxadiazol-2-yl]-1H-pyridin-2-one;5-[6-[4-[1-(dimethylamino)ethenyl]phenyl]-3-methylpyrazin-2-yl]-N-piperidin-4-yl-1,3,4-oxadiazol-2-amine;N,N-dimethyl-1-[4-[5-methyl-6-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]ethenamine;N,N-dimethyl-1-[4-[5-methyl-6-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]ethenamine;molecular hydrogen has a molecular weight of 1593.99 g/mol, XLogP of 17.17, 21 rotatable bonds, 3 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[6-[4-[1-(dimethylamino)ethenyl]phenyl]-3-methylpyrazin-2-yl]-1,3,4-oxadiazol-2-yl]-1H-pyridin-2-one;5-[6-[4-[1-(dimethylamino)ethenyl]phenyl]-3-methylpyrazin-2-yl]-N-piperidin-4-yl-1,3,4-oxadiazol-2-amine;N,N-dimethyl-1-[4-[5-methyl-6-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]ethenamine;N,N-dimethyl-1-[4-[5-methyl-6-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]ethenamine;molecular hydrogen is sourced from PubChem (CID 158748454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
- PubChem CID 158748454 — identifiers, structure, computed properties (public domain)
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