2-[3,5-bis(4-fluorophenyl)-1,2,4-triazol-1-yl]-1-[4-(6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)piperazin-1-yl]ethanone;2-[3,5-bis(4-fluorophenyl)-1,2,4-triazol-1-yl]-1-(4-furo[3,2-c]pyridin-4-ylpiperazin-1-yl)ethanone;2-[3,5-bis(4-fluorophenyl)-1,2,4-triazol-1-yl]-1-(4-thieno[3,2-c]pyridin-4-ylpiperazin-1-yl)ethanone;2-[3,5-bis(4-fluorophenyl)-1,2,4-triazol-1-yl]-1-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)ethanone;2-[3-[4-(difluoromethoxy)phenyl]-5-phenyl-1,2,4-triazol-1-yl]-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]ethanone

C130H111F10N33O8S3 — CID 158498570

About 2-[3,5-bis(4-fluorophenyl)-1,2,4-triazol-1-yl]-1-[4-(6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)piperazin-1-yl]ethanone;2-[3,5-bis(4-fluorophenyl)-1,2,4-triazol-1-yl]-1-(4-furo[3,2-c]pyridin-4-ylpiperazin-1-yl)ethanone;2-[3,5-bis(4-fluorophenyl)-1,2,4-triazol-1-yl]-1-(4-thieno[3,2-c]pyridin-4-ylpiperazin-1-yl)ethanone;2-[3,5-bis(4-fluorophenyl)-1,2,4-triazol-1-yl]-1-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)ethanone;2-[3-[4-(difluoromethoxy)phenyl]-5-phenyl-1,2,4-triazol-1-yl]-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]ethanone

2-[3,5-bis(4-fluorophenyl)-1,2,4-triazol-1-yl]-1-[4-(6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)piperazin-1-yl]ethanone;2-[3,5-bis(4-fluorophenyl)-1,2,4-triazol-1-yl]-1-(4-furo[3,2-c]pyridin-4-ylpiperazin-1-yl)ethanone;2-[3,5-bis(4-fluorophenyl)-1,2,4-triazol-1-yl]-1-(4-thieno[3,2-c]pyridin-4-ylpiperazin-1-yl)ethanone;2-[3,5-bis(4-fluorophenyl)-1,2,4-triazol-1-yl]-1-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)ethanone;2-[3-[4-(difluoromethoxy)phenyl]-5-phenyl-1,2,4-triazol-1-yl]-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]ethanone (PubChem CID 158498570) has the molecular formula C130H111F10N33O8S3 and a molecular weight of 2549.72 g/mol. Its IUPAC name is 2-[3,5-bis(4-fluorophenyl)-1,2,4-triazol-1-yl]-1-[4-(6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)piperazin-1-yl]ethanone;2-[3,5-bis(4-fluorophenyl)-1,2,4-triazol-1-yl]-1-(4-furo[3,2-c]pyridin-4-ylpiperazin-1-yl)ethanone;2-[3,5-bis(4-fluorophenyl)-1,2,4-triazol-1-yl]-1-(4-thieno[3,2-c]pyridin-4-ylpiperazin-1-yl)ethanone;2-[3,5-bis(4-fluorophenyl)-1,2,4-triazol-1-yl]-1-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)ethanone;2-[3-[4-(difluoromethoxy)phenyl]-5-phenyl-1,2,4-triazol-1-yl]-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]ethanone.

Molecular Properties

• Compound Name: 2-[3,5-bis(4-fluorophenyl)-1,2,4-triazol-1-yl]-1-[4-(6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)piperazin-1-yl]ethanone;2-[3,5-bis(4-fluorophenyl)-1,2,4-triazol-1-yl]-1-(4-furo[3,2-c]pyridin-4-ylpiperazin-1-yl)ethanone;2-[3,5-bis(4-fluorophenyl)-1,2,4-triazol-1-yl]-1-(4-thieno[3,2-c]pyridin-4-ylpiperazin-1-yl)ethanone;2-[3,5-bis(4-fluorophenyl)-1,2,4-triazol-1-yl]-1-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)ethanone;2-[3-[4-(difluoromethoxy)phenyl]-5-phenyl-1,2,4-triazol-1-yl]-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]ethanone
• PubChem CID: 158498570
• Molecular Formula: C130H111F10N33O8S3
• Molecular Weight: 2549.72 g/mol
• Exact Mass: 2547.83
• IUPAC Name: 2-[3,5-bis(4-fluorophenyl)-1,2,4-triazol-1-yl]-1-[4-(6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)piperazin-1-yl]ethanone;2-[3,5-bis(4-fluorophenyl)-1,2,4-triazol-1-yl]-1-(4-furo[3,2-c]pyridin-4-ylpiperazin-1-yl)ethanone;2-[3,5-bis(4-fluorophenyl)-1,2,4-triazol-1-yl]-1-(4-thieno[3,2-c]pyridin-4-ylpiperazin-1-yl)ethanone;2-[3,5-bis(4-fluorophenyl)-1,2,4-triazol-1-yl]-1-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)ethanone;2-[3-[4-(difluoromethoxy)phenyl]-5-phenyl-1,2,4-triazol-1-yl]-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]ethanone
• SMILES: Cc1nnc(N2CCN(C(=O)Cn3nc(-c4ccc(OC(F)F)cc4)nc3-c3ccccc3)CC2)o1.O=C(Cn1nc(-c2ccc(F)cc2)nc1-c1ccc(F)cc1)N1CCN(c2nccc3occc23)CC1.O=C(Cn1nc(-c2ccc(F)cc2)nc1-c1ccc(F)cc1)N1CCN(c2nccc3sccc23)CC1.O=C(Cn1nc(-c2ccc(F)cc2)nc1-c1ccc(F)cc1)N1CCN(c2ncnc3c2SCC3)CC1.O=C(Cn1nc(-c2ccc(F)cc2)nc1-c1ccc(F)cc1)N1CCN(c2ncnc3ccsc23)CC1
• InChI: InChI=1S/C27H22F2N6O2.C27H22F2N6OS.C26H23F2N7OS.C26H21F2N7OS.C24H23F2N7O3/c2*28-20-5-1-18(2-6-20)25-31-26(19-3-7-21(29)8-4-19)35(32-25)17-24(36)33-12-14-34(15-13-33)27-22-10-16-37-23(22)9-11-30-27;2*27-19-5-1-17(2-6-19)24-31-25(18-3-7-20(28)8-4-18)35(32-24)15-22(36)33-10-12-34(13-11-33)26-23-21(9-14-37-23)29-16-30-26;1-16-28-29-24(35-16)32-13-11-31(12-14-32)20(34)15-33-22(18-5-3-2-4-6-18)27-21(30-33)17-7-9-19(10-8-17)36-23(25)26/h2*1-11,16H,12-15,17H2;1-8,16H,9-15H2;1-9,14,16H,10-13,15H2;2-10,23H,11-15H2,1H3
• InChIKey: HJPDTAYYZGSJFK-UHFFFAOYSA-N
• XLogP: 20.40
• TPSA: 409.93 Ų
• H-Bond Acceptors: 39
• Rotatable Bonds: 27
• Heavy Atoms: 184
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2549.72
LogP ≤ 5	20.40
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	39

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-bis(4-fluorophenyl)-1,2,4-triazol-1-yl]-1-[4-(6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)piperazin-1-yl]ethanone;2-[3,5-bis(4-fluorophenyl)-1,2,4-triazol-1-yl]-1-(4-furo[3,2-c]pyridin-4-ylpiperazin-1-yl)ethanone;2-[3,5-bis(4-fluorophenyl)-1,2,4-triazol-1-yl]-1-(4-thieno[3,2-c]pyridin-4-ylpiperazin-1-yl)ethanone;2-[3,5-bis(4-fluorophenyl)-1,2,4-triazol-1-yl]-1-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)ethanone;2-[3-[4-(difluoromethoxy)phenyl]-5-phenyl-1,2,4-triazol-1-yl]-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]ethanone?

The IUPAC name of 2-[3,5-bis(4-fluorophenyl)-1,2,4-triazol-1-yl]-1-[4-(6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)piperazin-1-yl]ethanone;2-[3,5-bis(4-fluorophenyl)-1,2,4-triazol-1-yl]-1-(4-furo[3,2-c]pyridin-4-ylpiperazin-1-yl)ethanone;2-[3,5-bis(4-fluorophenyl)-1,2,4-triazol-1-yl]-1-(4-thieno[3,2-c]pyridin-4-ylpiperazin-1-yl)ethanone;2-[3,5-bis(4-fluorophenyl)-1,2,4-triazol-1-yl]-1-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)ethanone;2-[3-[4-(difluoromethoxy)phenyl]-5-phenyl-1,2,4-triazol-1-yl]-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]ethanone (CID 158498570) is 2-[3,5-bis(4-fluorophenyl)-1,2,4-triazol-1-yl]-1-[4-(6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)piperazin-1-yl]ethanone;2-[3,5-bis(4-fluorophenyl)-1,2,4-triazol-1-yl]-1-(4-furo[3,2-c]pyridin-4-ylpiperazin-1-yl)ethanone;2-[3,5-bis(4-fluorophenyl)-1,2,4-triazol-1-yl]-1-(4-thieno[3,2-c]pyridin-4-ylpiperazin-1-yl)ethanone;2-[3,5-bis(4-fluorophenyl)-1,2,4-triazol-1-yl]-1-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)ethanone;2-[3-[4-(difluoromethoxy)phenyl]-5-phenyl-1,2,4-triazol-1-yl]-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]ethanone.

What is the SMILES notation for 2-[3,5-bis(4-fluorophenyl)-1,2,4-triazol-1-yl]-1-[4-(6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)piperazin-1-yl]ethanone;2-[3,5-bis(4-fluorophenyl)-1,2,4-triazol-1-yl]-1-(4-furo[3,2-c]pyridin-4-ylpiperazin-1-yl)ethanone;2-[3,5-bis(4-fluorophenyl)-1,2,4-triazol-1-yl]-1-(4-thieno[3,2-c]pyridin-4-ylpiperazin-1-yl)ethanone;2-[3,5-bis(4-fluorophenyl)-1,2,4-triazol-1-yl]-1-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)ethanone;2-[3-[4-(difluoromethoxy)phenyl]-5-phenyl-1,2,4-triazol-1-yl]-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]ethanone?

The canonical SMILES for 2-[3,5-bis(4-fluorophenyl)-1,2,4-triazol-1-yl]-1-[4-(6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)piperazin-1-yl]ethanone;2-[3,5-bis(4-fluorophenyl)-1,2,4-triazol-1-yl]-1-(4-furo[3,2-c]pyridin-4-ylpiperazin-1-yl)ethanone;2-[3,5-bis(4-fluorophenyl)-1,2,4-triazol-1-yl]-1-(4-thieno[3,2-c]pyridin-4-ylpiperazin-1-yl)ethanone;2-[3,5-bis(4-fluorophenyl)-1,2,4-triazol-1-yl]-1-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)ethanone;2-[3-[4-(difluoromethoxy)phenyl]-5-phenyl-1,2,4-triazol-1-yl]-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]ethanone is Cc1nnc(N2CCN(C(=O)Cn3nc(-c4ccc(OC(F)F)cc4)nc3-c3ccccc3)CC2)o1.O=C(Cn1nc(-c2ccc(F)cc2)nc1-c1ccc(F)cc1)N1CCN(c2nccc3occc23)CC1.O=C(Cn1nc(-c2ccc(F)cc2)nc1-c1ccc(F)cc1)N1CCN(c2nccc3sccc23)CC1.O=C(Cn1nc(-c2ccc(F)cc2)nc1-c1ccc(F)cc1)N1CCN(c2ncnc3c2SCC3)CC1.O=C(Cn1nc(-c2ccc(F)cc2)nc1-c1ccc(F)cc1)N1CCN(c2ncnc3ccsc23)CC1.

What is the InChIKey of 2-[3,5-bis(4-fluorophenyl)-1,2,4-triazol-1-yl]-1-[4-(6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)piperazin-1-yl]ethanone;2-[3,5-bis(4-fluorophenyl)-1,2,4-triazol-1-yl]-1-(4-furo[3,2-c]pyridin-4-ylpiperazin-1-yl)ethanone;2-[3,5-bis(4-fluorophenyl)-1,2,4-triazol-1-yl]-1-(4-thieno[3,2-c]pyridin-4-ylpiperazin-1-yl)ethanone;2-[3,5-bis(4-fluorophenyl)-1,2,4-triazol-1-yl]-1-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)ethanone;2-[3-[4-(difluoromethoxy)phenyl]-5-phenyl-1,2,4-triazol-1-yl]-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]ethanone?

The InChIKey is HJPDTAYYZGSJFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22F2N6O2.C27H22F2N6OS.C26H23F2N7OS.C26H21F2N7OS.C24H23F2N7O3/c2*28-20-5-1-18(2-6-20)25-31-26(19-3-7-21(29)8-4-19)35(32-25)17-24(36)33-12-14-34(15-13-33)27-22-10-16-37-23(22)9-11-30-27;2*27-19-5-1-17(2-6-19)24-31-25(18-3-7-20(28)8-4-18)35(32-24)15-22(36)33-10-12-34(13-11-33)26-23-21(9-14-37-23)29-16-30-26;1-16-28-29-24(35-16)32-13-11-31(12-14-32)20(34)15-33-22(18-5-3-2-4-6-18)27-21(30-33)17-7-9-19(10-8-17)36-23(25)26/h2*1-11,16H,12-15,17H2;1-8,16H,9-15H2;1-9,14,16H,10-13,15H2;2-10,23H,11-15H2,1H3.

What are the key properties of 2-[3,5-bis(4-fluorophenyl)-1,2,4-triazol-1-yl]-1-[4-(6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)piperazin-1-yl]ethanone;2-[3,5-bis(4-fluorophenyl)-1,2,4-triazol-1-yl]-1-(4-furo[3,2-c]pyridin-4-ylpiperazin-1-yl)ethanone;2-[3,5-bis(4-fluorophenyl)-1,2,4-triazol-1-yl]-1-(4-thieno[3,2-c]pyridin-4-ylpiperazin-1-yl)ethanone;2-[3,5-bis(4-fluorophenyl)-1,2,4-triazol-1-yl]-1-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)ethanone;2-[3-[4-(difluoromethoxy)phenyl]-5-phenyl-1,2,4-triazol-1-yl]-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]ethanone?

2-[3,5-bis(4-fluorophenyl)-1,2,4-triazol-1-yl]-1-[4-(6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)piperazin-1-yl]ethanone;2-[3,5-bis(4-fluorophenyl)-1,2,4-triazol-1-yl]-1-(4-furo[3,2-c]pyridin-4-ylpiperazin-1-yl)ethanone;2-[3,5-bis(4-fluorophenyl)-1,2,4-triazol-1-yl]-1-(4-thieno[3,2-c]pyridin-4-ylpiperazin-1-yl)ethanone;2-[3,5-bis(4-fluorophenyl)-1,2,4-triazol-1-yl]-1-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)ethanone;2-[3-[4-(difluoromethoxy)phenyl]-5-phenyl-1,2,4-triazol-1-yl]-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]ethanone has a molecular weight of 2549.72 g/mol, XLogP of 20.40, 27 rotatable bonds, 0 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3,5-bis(4-fluorophenyl)-1,2,4-triazol-1-yl]-1-[4-(6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)piperazin-1-yl]ethanone;2-[3,5-bis(4-fluorophenyl)-1,2,4-triazol-1-yl]-1-(4-furo[3,2-c]pyridin-4-ylpiperazin-1-yl)ethanone;2-[3,5-bis(4-fluorophenyl)-1,2,4-triazol-1-yl]-1-(4-thieno[3,2-c]pyridin-4-ylpiperazin-1-yl)ethanone;2-[3,5-bis(4-fluorophenyl)-1,2,4-triazol-1-yl]-1-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)ethanone;2-[3-[4-(difluoromethoxy)phenyl]-5-phenyl-1,2,4-triazol-1-yl]-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]ethanone is sourced from PubChem (CID 158498570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).