2-[3-methyl-6-[4-[1-(3-methylpiperazin-1-yl)ethenyl]phenyl]pyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole;2-[3-methyl-6-[4-[1-[3-(trifluoromethyl)piperazin-1-yl]ethenyl]phenyl]pyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole;molecular hydrogen;5-[4-[1-(1,4-oxazepan-4-yl)ethenyl]phenyl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-amine

C77H79F3N18O4 — CID 159547767

About 2-[3-methyl-6-[4-[1-(3-methylpiperazin-1-yl)ethenyl]phenyl]pyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole;2-[3-methyl-6-[4-[1-[3-(trifluoromethyl)piperazin-1-yl]ethenyl]phenyl]pyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole;molecular hydrogen;5-[4-[1-(1,4-oxazepan-4-yl)ethenyl]phenyl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-amine

2-[3-methyl-6-[4-[1-(3-methylpiperazin-1-yl)ethenyl]phenyl]pyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole;2-[3-methyl-6-[4-[1-[3-(trifluoromethyl)piperazin-1-yl]ethenyl]phenyl]pyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole;molecular hydrogen;5-[4-[1-(1,4-oxazepan-4-yl)ethenyl]phenyl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-amine (PubChem CID 159547767) has the molecular formula C77H79F3N18O4 and a molecular weight of 1377.59 g/mol. Its IUPAC name is 2-[3-methyl-6-[4-[1-(3-methylpiperazin-1-yl)ethenyl]phenyl]pyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole;2-[3-methyl-6-[4-[1-[3-(trifluoromethyl)piperazin-1-yl]ethenyl]phenyl]pyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole;molecular hydrogen;5-[4-[1-(1,4-oxazepan-4-yl)ethenyl]phenyl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-amine.

Molecular Properties

• Compound Name: 2-[3-methyl-6-[4-[1-(3-methylpiperazin-1-yl)ethenyl]phenyl]pyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole;2-[3-methyl-6-[4-[1-[3-(trifluoromethyl)piperazin-1-yl]ethenyl]phenyl]pyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole;molecular hydrogen;5-[4-[1-(1,4-oxazepan-4-yl)ethenyl]phenyl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-amine
• PubChem CID: 159547767
• Molecular Formula: C77H79F3N18O4
• Molecular Weight: 1377.59 g/mol
• Exact Mass: 1376.65
• IUPAC Name: 2-[3-methyl-6-[4-[1-(3-methylpiperazin-1-yl)ethenyl]phenyl]pyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole;2-[3-methyl-6-[4-[1-[3-(trifluoromethyl)piperazin-1-yl]ethenyl]phenyl]pyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole;molecular hydrogen;5-[4-[1-(1,4-oxazepan-4-yl)ethenyl]phenyl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-amine
• SMILES: C=C(c1ccc(-c2cnc(C)c(-c3nnc(-c4ccccc4)o3)n2)cc1)N1CCNC(C(F)(F)F)C1.C=C(c1ccc(-c2cnc(C)c(-c3nnc(-c4ccccc4)o3)n2)cc1)N1CCNC(C)C1.C=C(c1ccc(-c2cnc(N)c(-c3nnc(-c4ccccc4)o3)n2)cc1)N1CCCOCC1.[H][H].[H][H].[H][H]
• InChI: InChI=1S/C26H23F3N6O.C26H26N6O.C25H24N6O2.3H2/c1-16-23(25-34-33-24(36-25)20-6-4-3-5-7-20)32-21(14-31-16)19-10-8-18(9-11-19)17(2)35-13-12-30-22(15-35)26(27,28)29;1-17-16-32(14-13-27-17)19(3)20-9-11-21(12-10-20)23-15-28-18(2)24(29-23)26-31-30-25(33-26)22-7-5-4-6-8-22;1-17(31-12-5-14-32-15-13-31)18-8-10-19(11-9-18)21-16-27-23(26)22(28-21)25-30-29-24(33-25)20-6-3-2-4-7-20;;;/h3-11,14,22,30H,2,12-13,15H2,1H3;4-12,15,17,27H,3,13-14,16H2,1-2H3;2-4,6-11,16H,1,5,12-15H2,(H2,26,27);3*1H
• InChIKey: MEZYWONEKPEWNM-UHFFFAOYSA-N
• XLogP: 14.28
• TPSA: 263.13 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 22
• Rotatable Bonds: 15
• Heavy Atoms: 102
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1377.59
LogP ≤ 5	14.28
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	22

Frequently Asked Questions

What is the IUPAC name of 2-[3-methyl-6-[4-[1-(3-methylpiperazin-1-yl)ethenyl]phenyl]pyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole;2-[3-methyl-6-[4-[1-[3-(trifluoromethyl)piperazin-1-yl]ethenyl]phenyl]pyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole;molecular hydrogen;5-[4-[1-(1,4-oxazepan-4-yl)ethenyl]phenyl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-amine?

The IUPAC name of 2-[3-methyl-6-[4-[1-(3-methylpiperazin-1-yl)ethenyl]phenyl]pyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole;2-[3-methyl-6-[4-[1-[3-(trifluoromethyl)piperazin-1-yl]ethenyl]phenyl]pyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole;molecular hydrogen;5-[4-[1-(1,4-oxazepan-4-yl)ethenyl]phenyl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-amine (CID 159547767) is 2-[3-methyl-6-[4-[1-(3-methylpiperazin-1-yl)ethenyl]phenyl]pyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole;2-[3-methyl-6-[4-[1-[3-(trifluoromethyl)piperazin-1-yl]ethenyl]phenyl]pyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole;molecular hydrogen;5-[4-[1-(1,4-oxazepan-4-yl)ethenyl]phenyl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-amine.

What is the SMILES notation for 2-[3-methyl-6-[4-[1-(3-methylpiperazin-1-yl)ethenyl]phenyl]pyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole;2-[3-methyl-6-[4-[1-[3-(trifluoromethyl)piperazin-1-yl]ethenyl]phenyl]pyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole;molecular hydrogen;5-[4-[1-(1,4-oxazepan-4-yl)ethenyl]phenyl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-amine?

The canonical SMILES for 2-[3-methyl-6-[4-[1-(3-methylpiperazin-1-yl)ethenyl]phenyl]pyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole;2-[3-methyl-6-[4-[1-[3-(trifluoromethyl)piperazin-1-yl]ethenyl]phenyl]pyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole;molecular hydrogen;5-[4-[1-(1,4-oxazepan-4-yl)ethenyl]phenyl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-amine is C=C(c1ccc(-c2cnc(C)c(-c3nnc(-c4ccccc4)o3)n2)cc1)N1CCNC(C(F)(F)F)C1.C=C(c1ccc(-c2cnc(C)c(-c3nnc(-c4ccccc4)o3)n2)cc1)N1CCNC(C)C1.C=C(c1ccc(-c2cnc(N)c(-c3nnc(-c4ccccc4)o3)n2)cc1)N1CCCOCC1.[H][H].[H][H].[H][H].

What is the InChIKey of 2-[3-methyl-6-[4-[1-(3-methylpiperazin-1-yl)ethenyl]phenyl]pyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole;2-[3-methyl-6-[4-[1-[3-(trifluoromethyl)piperazin-1-yl]ethenyl]phenyl]pyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole;molecular hydrogen;5-[4-[1-(1,4-oxazepan-4-yl)ethenyl]phenyl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-amine?

The InChIKey is MEZYWONEKPEWNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23F3N6O.C26H26N6O.C25H24N6O2.3H2/c1-16-23(25-34-33-24(36-25)20-6-4-3-5-7-20)32-21(14-31-16)19-10-8-18(9-11-19)17(2)35-13-12-30-22(15-35)26(27,28)29;1-17-16-32(14-13-27-17)19(3)20-9-11-21(12-10-20)23-15-28-18(2)24(29-23)26-31-30-25(33-26)22-7-5-4-6-8-22;1-17(31-12-5-14-32-15-13-31)18-8-10-19(11-9-18)21-16-27-23(26)22(28-21)25-30-29-24(33-25)20-6-3-2-4-7-20;;;/h3-11,14,22,30H,2,12-13,15H2,1H3;4-12,15,17,27H,3,13-14,16H2,1-2H3;2-4,6-11,16H,1,5,12-15H2,(H2,26,27);3*1H.

What are the key properties of 2-[3-methyl-6-[4-[1-(3-methylpiperazin-1-yl)ethenyl]phenyl]pyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole;2-[3-methyl-6-[4-[1-[3-(trifluoromethyl)piperazin-1-yl]ethenyl]phenyl]pyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole;molecular hydrogen;5-[4-[1-(1,4-oxazepan-4-yl)ethenyl]phenyl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-amine?

2-[3-methyl-6-[4-[1-(3-methylpiperazin-1-yl)ethenyl]phenyl]pyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole;2-[3-methyl-6-[4-[1-[3-(trifluoromethyl)piperazin-1-yl]ethenyl]phenyl]pyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole;molecular hydrogen;5-[4-[1-(1,4-oxazepan-4-yl)ethenyl]phenyl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-amine has a molecular weight of 1377.59 g/mol, XLogP of 14.28, 15 rotatable bonds, 3 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-methyl-6-[4-[1-(3-methylpiperazin-1-yl)ethenyl]phenyl]pyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole;2-[3-methyl-6-[4-[1-[3-(trifluoromethyl)piperazin-1-yl]ethenyl]phenyl]pyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole;molecular hydrogen;5-[4-[1-(1,4-oxazepan-4-yl)ethenyl]phenyl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-amine is sourced from PubChem (CID 159547767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).