2-[5-[4-(difluoromethoxy)phenyl]-3-phenyl-1,2,4-triazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone;2-[3-[4-(difluoromethoxy)phenyl]-5-propyl-1,2,4-triazol-1-yl]-1-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]ethanone;2-[3-[4-(difluoromethoxy)phenyl]-5-propyl-1,2,4-triazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone;2-[3-[4-(difluoromethoxy)phenyl]-5-propyl-1,2,4-triazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone

C94H102F8N26O9 — CID 157466652

About 2-[5-[4-(difluoromethoxy)phenyl]-3-phenyl-1,2,4-triazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone;2-[3-[4-(difluoromethoxy)phenyl]-5-propyl-1,2,4-triazol-1-yl]-1-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]ethanone;2-[3-[4-(difluoromethoxy)phenyl]-5-propyl-1,2,4-triazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone;2-[3-[4-(difluoromethoxy)phenyl]-5-propyl-1,2,4-triazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone

2-[5-[4-(difluoromethoxy)phenyl]-3-phenyl-1,2,4-triazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone;2-[3-[4-(difluoromethoxy)phenyl]-5-propyl-1,2,4-triazol-1-yl]-1-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]ethanone;2-[3-[4-(difluoromethoxy)phenyl]-5-propyl-1,2,4-triazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone;2-[3-[4-(difluoromethoxy)phenyl]-5-propyl-1,2,4-triazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone (PubChem CID 157466652) has the molecular formula C94H102F8N26O9 and a molecular weight of 1892.01 g/mol. Its IUPAC name is 2-[5-[4-(difluoromethoxy)phenyl]-3-phenyl-1,2,4-triazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone;2-[3-[4-(difluoromethoxy)phenyl]-5-propyl-1,2,4-triazol-1-yl]-1-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]ethanone;2-[3-[4-(difluoromethoxy)phenyl]-5-propyl-1,2,4-triazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone;2-[3-[4-(difluoromethoxy)phenyl]-5-propyl-1,2,4-triazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone.

Molecular Properties

• Compound Name: 2-[5-[4-(difluoromethoxy)phenyl]-3-phenyl-1,2,4-triazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone;2-[3-[4-(difluoromethoxy)phenyl]-5-propyl-1,2,4-triazol-1-yl]-1-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]ethanone;2-[3-[4-(difluoromethoxy)phenyl]-5-propyl-1,2,4-triazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone;2-[3-[4-(difluoromethoxy)phenyl]-5-propyl-1,2,4-triazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
• PubChem CID: 157466652
• Molecular Formula: C94H102F8N26O9
• Molecular Weight: 1892.01 g/mol
• Exact Mass: 1890.82
• IUPAC Name: 2-[5-[4-(difluoromethoxy)phenyl]-3-phenyl-1,2,4-triazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone;2-[3-[4-(difluoromethoxy)phenyl]-5-propyl-1,2,4-triazol-1-yl]-1-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]ethanone;2-[3-[4-(difluoromethoxy)phenyl]-5-propyl-1,2,4-triazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone;2-[3-[4-(difluoromethoxy)phenyl]-5-propyl-1,2,4-triazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
• SMILES: CCCc1nc(-c2ccc(OC(F)F)cc2)nn1CC(=O)N1CCN(c2ccccn2)CC1.CCCc1nc(-c2ccc(OC(F)F)cc2)nn1CC(=O)N1CCN(c2nccc(OC)n2)CC1.CCCc1nc(-c2ccc(OC(F)F)cc2)nn1CC(=O)N1CCN(c2ncccn2)CC1.O=C(Cn1nc(-c2ccccc2)nc1-c1ccc(OC(F)F)cc1)N1CCN(c2ccccn2)CC1
• InChI: InChI=1S/C26H24F2N6O2.C23H27F2N7O3.C23H26F2N6O2.C22H25F2N7O2/c27-26(28)36-21-11-9-20(10-12-21)25-30-24(19-6-2-1-3-7-19)31-34(25)18-23(35)33-16-14-32(15-17-33)22-8-4-5-13-29-22;1-3-4-18-27-21(16-5-7-17(8-6-16)35-22(24)25)29-32(18)15-20(33)30-11-13-31(14-12-30)23-26-10-9-19(28-23)34-2;1-2-5-20-27-22(17-7-9-18(10-8-17)33-23(24)25)28-31(20)16-21(32)30-14-12-29(13-15-30)19-6-3-4-11-26-19;1-2-4-18-27-20(16-5-7-17(8-6-16)33-21(23)24)28-31(18)15-19(32)29-11-13-30(14-12-29)22-25-9-3-10-26-22/h1-13,26H,14-18H2;5-10,22H,3-4,11-15H2,1-2H3;3-4,6-11,23H,2,5,12-16H2,1H3;3,5-10,21H,2,4,11-15H2,1H3
• InChIKey: BUODXLXOSMAFMW-UHFFFAOYSA-N
• XLogP: 12.48
• TPSA: 340.53 Ų
• H-Bond Acceptors: 31
• Rotatable Bonds: 32
• Heavy Atoms: 137
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1892.01
LogP ≤ 5	12.48
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	31

Frequently Asked Questions

What is the IUPAC name of 2-[5-[4-(difluoromethoxy)phenyl]-3-phenyl-1,2,4-triazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone;2-[3-[4-(difluoromethoxy)phenyl]-5-propyl-1,2,4-triazol-1-yl]-1-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]ethanone;2-[3-[4-(difluoromethoxy)phenyl]-5-propyl-1,2,4-triazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone;2-[3-[4-(difluoromethoxy)phenyl]-5-propyl-1,2,4-triazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone?

The IUPAC name of 2-[5-[4-(difluoromethoxy)phenyl]-3-phenyl-1,2,4-triazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone;2-[3-[4-(difluoromethoxy)phenyl]-5-propyl-1,2,4-triazol-1-yl]-1-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]ethanone;2-[3-[4-(difluoromethoxy)phenyl]-5-propyl-1,2,4-triazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone;2-[3-[4-(difluoromethoxy)phenyl]-5-propyl-1,2,4-triazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone (CID 157466652) is 2-[5-[4-(difluoromethoxy)phenyl]-3-phenyl-1,2,4-triazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone;2-[3-[4-(difluoromethoxy)phenyl]-5-propyl-1,2,4-triazol-1-yl]-1-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]ethanone;2-[3-[4-(difluoromethoxy)phenyl]-5-propyl-1,2,4-triazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone;2-[3-[4-(difluoromethoxy)phenyl]-5-propyl-1,2,4-triazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone.

What is the SMILES notation for 2-[5-[4-(difluoromethoxy)phenyl]-3-phenyl-1,2,4-triazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone;2-[3-[4-(difluoromethoxy)phenyl]-5-propyl-1,2,4-triazol-1-yl]-1-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]ethanone;2-[3-[4-(difluoromethoxy)phenyl]-5-propyl-1,2,4-triazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone;2-[3-[4-(difluoromethoxy)phenyl]-5-propyl-1,2,4-triazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone?

The canonical SMILES for 2-[5-[4-(difluoromethoxy)phenyl]-3-phenyl-1,2,4-triazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone;2-[3-[4-(difluoromethoxy)phenyl]-5-propyl-1,2,4-triazol-1-yl]-1-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]ethanone;2-[3-[4-(difluoromethoxy)phenyl]-5-propyl-1,2,4-triazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone;2-[3-[4-(difluoromethoxy)phenyl]-5-propyl-1,2,4-triazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone is CCCc1nc(-c2ccc(OC(F)F)cc2)nn1CC(=O)N1CCN(c2ccccn2)CC1.CCCc1nc(-c2ccc(OC(F)F)cc2)nn1CC(=O)N1CCN(c2nccc(OC)n2)CC1.CCCc1nc(-c2ccc(OC(F)F)cc2)nn1CC(=O)N1CCN(c2ncccn2)CC1.O=C(Cn1nc(-c2ccccc2)nc1-c1ccc(OC(F)F)cc1)N1CCN(c2ccccn2)CC1.

What is the InChIKey of 2-[5-[4-(difluoromethoxy)phenyl]-3-phenyl-1,2,4-triazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone;2-[3-[4-(difluoromethoxy)phenyl]-5-propyl-1,2,4-triazol-1-yl]-1-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]ethanone;2-[3-[4-(difluoromethoxy)phenyl]-5-propyl-1,2,4-triazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone;2-[3-[4-(difluoromethoxy)phenyl]-5-propyl-1,2,4-triazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone?

The InChIKey is BUODXLXOSMAFMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24F2N6O2.C23H27F2N7O3.C23H26F2N6O2.C22H25F2N7O2/c27-26(28)36-21-11-9-20(10-12-21)25-30-24(19-6-2-1-3-7-19)31-34(25)18-23(35)33-16-14-32(15-17-33)22-8-4-5-13-29-22;1-3-4-18-27-21(16-5-7-17(8-6-16)35-22(24)25)29-32(18)15-20(33)30-11-13-31(14-12-30)23-26-10-9-19(28-23)34-2;1-2-5-20-27-22(17-7-9-18(10-8-17)33-23(24)25)28-31(20)16-21(32)30-14-12-29(13-15-30)19-6-3-4-11-26-19;1-2-4-18-27-20(16-5-7-17(8-6-16)33-21(23)24)28-31(18)15-19(32)29-11-13-30(14-12-29)22-25-9-3-10-26-22/h1-13,26H,14-18H2;5-10,22H,3-4,11-15H2,1-2H3;3-4,6-11,23H,2,5,12-16H2,1H3;3,5-10,21H,2,4,11-15H2,1H3.

What are the key properties of 2-[5-[4-(difluoromethoxy)phenyl]-3-phenyl-1,2,4-triazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone;2-[3-[4-(difluoromethoxy)phenyl]-5-propyl-1,2,4-triazol-1-yl]-1-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]ethanone;2-[3-[4-(difluoromethoxy)phenyl]-5-propyl-1,2,4-triazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone;2-[3-[4-(difluoromethoxy)phenyl]-5-propyl-1,2,4-triazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone?

2-[5-[4-(difluoromethoxy)phenyl]-3-phenyl-1,2,4-triazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone;2-[3-[4-(difluoromethoxy)phenyl]-5-propyl-1,2,4-triazol-1-yl]-1-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]ethanone;2-[3-[4-(difluoromethoxy)phenyl]-5-propyl-1,2,4-triazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone;2-[3-[4-(difluoromethoxy)phenyl]-5-propyl-1,2,4-triazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone has a molecular weight of 1892.01 g/mol, XLogP of 12.48, 32 rotatable bonds, 0 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-[4-(difluoromethoxy)phenyl]-3-phenyl-1,2,4-triazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone;2-[3-[4-(difluoromethoxy)phenyl]-5-propyl-1,2,4-triazol-1-yl]-1-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]ethanone;2-[3-[4-(difluoromethoxy)phenyl]-5-propyl-1,2,4-triazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone;2-[3-[4-(difluoromethoxy)phenyl]-5-propyl-1,2,4-triazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone is sourced from PubChem (CID 157466652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).