3-[4-(1,1-difluoroethoxy)phenyl]-5-[1-[[2-(4,4-dimethylpiperidin-1-yl)-4-pyridinyl]methyl]-5-methyl-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;3-[4-(1,1-difluoroethoxy)phenyl]-5-[1-[(2-ethyl-4-pyridinyl)methyl]-5-methyl-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;3-[4-(1,1-difluoroethoxy)phenyl]-5-[1-[[2-(4-methoxybutyl)-4-pyridinyl]methyl]-5-methyl-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;4-[[3-[3-[4-(1,1-difluoroethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]-N,N-dimethylpyridin-2-amine;4-[4-[[3-[3-[4-(1,1-difluoroethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]pyridin-1-ium-2-yl]-1,4-thiazinane 1,1-dioxide;1-[4-[4-[[3-[3-[4-(1,1-difluoroethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]-2-pyridinyl]piperazin-1-yl]ethanone;4-[3-[4-[[3-[3-[4-(1,1-difluoroethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]-2-pyridinyl]propyl]morpholine;[4-[[5-methyl-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-1,2,4-triazol-1-yl]methyl]phenyl]-(4-methylpiperazin-1-yl)methanone;2,2,2-trifluoroacetate

C193H202F17N55O23S — CID 159345895

About 3-[4-(1,1-difluoroethoxy)phenyl]-5-[1-[[2-(4,4-dimethylpiperidin-1-yl)-4-pyridinyl]methyl]-5-methyl-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;3-[4-(1,1-difluoroethoxy)phenyl]-5-[1-[(2-ethyl-4-pyridinyl)methyl]-5-methyl-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;3-[4-(1,1-difluoroethoxy)phenyl]-5-[1-[[2-(4-methoxybutyl)-4-pyridinyl]methyl]-5-methyl-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;4-[[3-[3-[4-(1,1-difluoroethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]-N,N-dimethylpyridin-2-amine;4-[4-[[3-[3-[4-(1,1-difluoroethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]pyridin-1-ium-2-yl]-1,4-thiazinane 1,1-dioxide;1-[4-[4-[[3-[3-[4-(1,1-difluoroethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]-2-pyridinyl]piperazin-1-yl]ethanone;4-[3-[4-[[3-[3-[4-(1,1-difluoroethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]-2-pyridinyl]propyl]morpholine;[4-[[5-methyl-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-1,2,4-triazol-1-yl]methyl]phenyl]-(4-methylpiperazin-1-yl)methanone;2,2,2-trifluoroacetate

3-[4-(1,1-difluoroethoxy)phenyl]-5-[1-[[2-(4,4-dimethylpiperidin-1-yl)-4-pyridinyl]methyl]-5-methyl-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;3-[4-(1,1-difluoroethoxy)phenyl]-5-[1-[(2-ethyl-4-pyridinyl)methyl]-5-methyl-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;3-[4-(1,1-difluoroethoxy)phenyl]-5-[1-[[2-(4-methoxybutyl)-4-pyridinyl]methyl]-5-methyl-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;4-[[3-[3-[4-(1,1-difluoroethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]-N,N-dimethylpyridin-2-amine;4-[4-[[3-[3-[4-(1,1-difluoroethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]pyridin-1-ium-2-yl]-1,4-thiazinane 1,1-dioxide;1-[4-[4-[[3-[3-[4-(1,1-difluoroethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]-2-pyridinyl]piperazin-1-yl]ethanone;4-[3-[4-[[3-[3-[4-(1,1-difluoroethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]-2-pyridinyl]propyl]morpholine;[4-[[5-methyl-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-1,2,4-triazol-1-yl]methyl]phenyl]-(4-methylpiperazin-1-yl)methanone;2,2,2-trifluoroacetate (PubChem CID 159345895) has the molecular formula C193H202F17N55O23S and a molecular weight of 4015.13 g/mol. Its IUPAC name is 3-[4-(1,1-difluoroethoxy)phenyl]-5-[1-[[2-(4,4-dimethylpiperidin-1-yl)-4-pyridinyl]methyl]-5-methyl-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;3-[4-(1,1-difluoroethoxy)phenyl]-5-[1-[(2-ethyl-4-pyridinyl)methyl]-5-methyl-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;3-[4-(1,1-difluoroethoxy)phenyl]-5-[1-[[2-(4-methoxybutyl)-4-pyridinyl]methyl]-5-methyl-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;4-[[3-[3-[4-(1,1-difluoroethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]-N,N-dimethylpyridin-2-amine;4-[4-[[3-[3-[4-(1,1-difluoroethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]pyridin-1-ium-2-yl]-1,4-thiazinane 1,1-dioxide;1-[4-[4-[[3-[3-[4-(1,1-difluoroethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]-2-pyridinyl]piperazin-1-yl]ethanone;4-[3-[4-[[3-[3-[4-(1,1-difluoroethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]-2-pyridinyl]propyl]morpholine;[4-[[5-methyl-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-1,2,4-triazol-1-yl]methyl]phenyl]-(4-methylpiperazin-1-yl)methanone;2,2,2-trifluoroacetate.

Molecular Properties

• Compound Name: 3-[4-(1,1-difluoroethoxy)phenyl]-5-[1-[[2-(4,4-dimethylpiperidin-1-yl)-4-pyridinyl]methyl]-5-methyl-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;3-[4-(1,1-difluoroethoxy)phenyl]-5-[1-[(2-ethyl-4-pyridinyl)methyl]-5-methyl-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;3-[4-(1,1-difluoroethoxy)phenyl]-5-[1-[[2-(4-methoxybutyl)-4-pyridinyl]methyl]-5-methyl-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;4-[[3-[3-[4-(1,1-difluoroethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]-N,N-dimethylpyridin-2-amine;4-[4-[[3-[3-[4-(1,1-difluoroethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]pyridin-1-ium-2-yl]-1,4-thiazinane 1,1-dioxide;1-[4-[4-[[3-[3-[4-(1,1-difluoroethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]-2-pyridinyl]piperazin-1-yl]ethanone;4-[3-[4-[[3-[3-[4-(1,1-difluoroethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]-2-pyridinyl]propyl]morpholine;[4-[[5-methyl-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-1,2,4-triazol-1-yl]methyl]phenyl]-(4-methylpiperazin-1-yl)methanone;2,2,2-trifluoroacetate
• PubChem CID: 159345895
• Molecular Formula: C193H202F17N55O23S
• Molecular Weight: 4015.13 g/mol
• Exact Mass: 4012.58
• IUPAC Name: 3-[4-(1,1-difluoroethoxy)phenyl]-5-[1-[[2-(4,4-dimethylpiperidin-1-yl)-4-pyridinyl]methyl]-5-methyl-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;3-[4-(1,1-difluoroethoxy)phenyl]-5-[1-[(2-ethyl-4-pyridinyl)methyl]-5-methyl-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;3-[4-(1,1-difluoroethoxy)phenyl]-5-[1-[[2-(4-methoxybutyl)-4-pyridinyl]methyl]-5-methyl-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;4-[[3-[3-[4-(1,1-difluoroethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]-N,N-dimethylpyridin-2-amine;4-[4-[[3-[3-[4-(1,1-difluoroethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]pyridin-1-ium-2-yl]-1,4-thiazinane 1,1-dioxide;1-[4-[4-[[3-[3-[4-(1,1-difluoroethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]-2-pyridinyl]piperazin-1-yl]ethanone;4-[3-[4-[[3-[3-[4-(1,1-difluoroethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]-2-pyridinyl]propyl]morpholine;[4-[[5-methyl-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-1,2,4-triazol-1-yl]methyl]phenyl]-(4-methylpiperazin-1-yl)methanone;2,2,2-trifluoroacetate
• SMILES: CC(=O)N1CCN(c2cc(Cn3nc(-c4nc(-c5ccc(OC(C)(F)F)cc5)no4)nc3C)ccn2)CC1.CCc1cc(Cn2nc(-c3nc(-c4ccc(OC(C)(F)F)cc4)no3)nc2C)ccn1.COCCCCc1cc(Cn2nc(-c3nc(-c4ccc(OC(C)(F)F)cc4)no3)nc2C)ccn1.Cc1ccc(-c2noc(-c3nc(C)n(Cc4ccc(C(=O)N5CCN(C)CC5)cc4)n3)n2)cc1.Cc1nc(-c2nc(-c3ccc(OC(C)(F)F)cc3)no2)nn1Cc1cc[nH+]c(N2CCS(=O)(=O)CC2)c1.Cc1nc(-c2nc(-c3ccc(OC(C)(F)F)cc3)no2)nn1Cc1ccnc(CCCN2CCOCC2)c1.Cc1nc(-c2nc(-c3ccc(OC(C)(F)F)cc3)no2)nn1Cc1ccnc(N(C)C)c1.Cc1nc(-c2nc(-c3ccc(OC(C)(F)F)cc3)no2)nn1Cc1ccnc(N2CCC(C)(C)CC2)c1.O=C([O-])C(F)(F)F
• InChI: InChI=1S/C26H29F2N7O3.C26H29F2N7O2.C25H26F2N8O3.C25H27N7O2.C24H26F2N6O3.C23H23F2N7O4S.C21H21F2N7O2.C21H20F2N6O2.C2HF3O2/c1-18-30-24(25-31-23(33-38-25)20-5-7-22(8-6-20)37-26(2,27)28)32-35(18)17-19-9-10-29-21(16-19)4-3-11-34-12-14-36-15-13-34;1-17-30-23(24-31-22(33-37-24)19-5-7-20(8-6-19)36-26(4,27)28)32-35(17)16-18-9-12-29-21(15-18)34-13-10-25(2,3)11-14-34;1-16-29-23(24-30-22(32-38-24)19-4-6-20(7-5-19)37-25(3,26)27)31-35(16)15-18-8-9-28-21(14-18)34-12-10-33(11-13-34)17(2)36;1-17-4-8-20(9-5-17)22-27-24(34-29-22)23-26-18(2)32(28-23)16-19-6-10-21(11-7-19)25(33)31-14-12-30(3)13-15-31;1-16-28-22(30-32(16)15-17-11-12-27-19(14-17)6-4-5-13-33-3)23-29-21(31-35-23)18-7-9-20(10-8-18)34-24(2,25)26;1-15-27-21(22-28-20(30-36-22)17-3-5-18(6-4-17)35-23(2,24)25)29-32(15)14-16-7-8-26-19(13-16)31-9-11-37(33,34)12-10-31;1-13-25-19(27-30(13)12-14-9-10-24-17(11-14)29(3)4)20-26-18(28-32-20)15-5-7-16(8-6-15)31-21(2,22)23;1-4-16-11-14(9-10-24-16)12-29-13(2)25-19(27-29)20-26-18(28-31-20)15-5-7-17(8-6-15)30-21(3,22)23;3-2(4,5)1(6)7/h5-10,16H,3-4,11-15,17H2,1-2H3;5-9,12,15H,10-11,13-14,16H2,1-4H3;4-9,14H,10-13,15H2,1-3H3;4-11H,12-16H2,1-3H3;7-12,14H,4-6,13,15H2,1-3H3;3-8,13H,9-12,14H2,1-2H3;5-11H,12H2,1-4H3;5-11H,4,12H2,1-3H3;(H,6,7)
• InChIKey: QQGOVKKOEKGZBN-UHFFFAOYSA-N
• XLogP: 30.33
• TPSA: 865.92 Ų
• H-Bond Acceptors: 75
• Rotatable Bonds: 61
• Heavy Atoms: 289
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	4015.13
LogP ≤ 5	30.33
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	75

Frequently Asked Questions

What is the IUPAC name of 3-[4-(1,1-difluoroethoxy)phenyl]-5-[1-[[2-(4,4-dimethylpiperidin-1-yl)-4-pyridinyl]methyl]-5-methyl-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;3-[4-(1,1-difluoroethoxy)phenyl]-5-[1-[(2-ethyl-4-pyridinyl)methyl]-5-methyl-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;3-[4-(1,1-difluoroethoxy)phenyl]-5-[1-[[2-(4-methoxybutyl)-4-pyridinyl]methyl]-5-methyl-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;4-[[3-[3-[4-(1,1-difluoroethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]-N,N-dimethylpyridin-2-amine;4-[4-[[3-[3-[4-(1,1-difluoroethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]pyridin-1-ium-2-yl]-1,4-thiazinane 1,1-dioxide;1-[4-[4-[[3-[3-[4-(1,1-difluoroethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]-2-pyridinyl]piperazin-1-yl]ethanone;4-[3-[4-[[3-[3-[4-(1,1-difluoroethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]-2-pyridinyl]propyl]morpholine;[4-[[5-methyl-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-1,2,4-triazol-1-yl]methyl]phenyl]-(4-methylpiperazin-1-yl)methanone;2,2,2-trifluoroacetate?

The IUPAC name of 3-[4-(1,1-difluoroethoxy)phenyl]-5-[1-[[2-(4,4-dimethylpiperidin-1-yl)-4-pyridinyl]methyl]-5-methyl-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;3-[4-(1,1-difluoroethoxy)phenyl]-5-[1-[(2-ethyl-4-pyridinyl)methyl]-5-methyl-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;3-[4-(1,1-difluoroethoxy)phenyl]-5-[1-[[2-(4-methoxybutyl)-4-pyridinyl]methyl]-5-methyl-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;4-[[3-[3-[4-(1,1-difluoroethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]-N,N-dimethylpyridin-2-amine;4-[4-[[3-[3-[4-(1,1-difluoroethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]pyridin-1-ium-2-yl]-1,4-thiazinane 1,1-dioxide;1-[4-[4-[[3-[3-[4-(1,1-difluoroethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]-2-pyridinyl]piperazin-1-yl]ethanone;4-[3-[4-[[3-[3-[4-(1,1-difluoroethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]-2-pyridinyl]propyl]morpholine;[4-[[5-methyl-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-1,2,4-triazol-1-yl]methyl]phenyl]-(4-methylpiperazin-1-yl)methanone;2,2,2-trifluoroacetate (CID 159345895) is 3-[4-(1,1-difluoroethoxy)phenyl]-5-[1-[[2-(4,4-dimethylpiperidin-1-yl)-4-pyridinyl]methyl]-5-methyl-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;3-[4-(1,1-difluoroethoxy)phenyl]-5-[1-[(2-ethyl-4-pyridinyl)methyl]-5-methyl-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;3-[4-(1,1-difluoroethoxy)phenyl]-5-[1-[[2-(4-methoxybutyl)-4-pyridinyl]methyl]-5-methyl-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;4-[[3-[3-[4-(1,1-difluoroethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]-N,N-dimethylpyridin-2-amine;4-[4-[[3-[3-[4-(1,1-difluoroethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]pyridin-1-ium-2-yl]-1,4-thiazinane 1,1-dioxide;1-[4-[4-[[3-[3-[4-(1,1-difluoroethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]-2-pyridinyl]piperazin-1-yl]ethanone;4-[3-[4-[[3-[3-[4-(1,1-difluoroethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]-2-pyridinyl]propyl]morpholine;[4-[[5-methyl-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-1,2,4-triazol-1-yl]methyl]phenyl]-(4-methylpiperazin-1-yl)methanone;2,2,2-trifluoroacetate.

What is the SMILES notation for 3-[4-(1,1-difluoroethoxy)phenyl]-5-[1-[[2-(4,4-dimethylpiperidin-1-yl)-4-pyridinyl]methyl]-5-methyl-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;3-[4-(1,1-difluoroethoxy)phenyl]-5-[1-[(2-ethyl-4-pyridinyl)methyl]-5-methyl-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;3-[4-(1,1-difluoroethoxy)phenyl]-5-[1-[[2-(4-methoxybutyl)-4-pyridinyl]methyl]-5-methyl-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;4-[[3-[3-[4-(1,1-difluoroethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]-N,N-dimethylpyridin-2-amine;4-[4-[[3-[3-[4-(1,1-difluoroethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]pyridin-1-ium-2-yl]-1,4-thiazinane 1,1-dioxide;1-[4-[4-[[3-[3-[4-(1,1-difluoroethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]-2-pyridinyl]piperazin-1-yl]ethanone;4-[3-[4-[[3-[3-[4-(1,1-difluoroethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]-2-pyridinyl]propyl]morpholine;[4-[[5-methyl-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-1,2,4-triazol-1-yl]methyl]phenyl]-(4-methylpiperazin-1-yl)methanone;2,2,2-trifluoroacetate?

The canonical SMILES for 3-[4-(1,1-difluoroethoxy)phenyl]-5-[1-[[2-(4,4-dimethylpiperidin-1-yl)-4-pyridinyl]methyl]-5-methyl-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;3-[4-(1,1-difluoroethoxy)phenyl]-5-[1-[(2-ethyl-4-pyridinyl)methyl]-5-methyl-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;3-[4-(1,1-difluoroethoxy)phenyl]-5-[1-[[2-(4-methoxybutyl)-4-pyridinyl]methyl]-5-methyl-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;4-[[3-[3-[4-(1,1-difluoroethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]-N,N-dimethylpyridin-2-amine;4-[4-[[3-[3-[4-(1,1-difluoroethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]pyridin-1-ium-2-yl]-1,4-thiazinane 1,1-dioxide;1-[4-[4-[[3-[3-[4-(1,1-difluoroethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]-2-pyridinyl]piperazin-1-yl]ethanone;4-[3-[4-[[3-[3-[4-(1,1-difluoroethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]-2-pyridinyl]propyl]morpholine;[4-[[5-methyl-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-1,2,4-triazol-1-yl]methyl]phenyl]-(4-methylpiperazin-1-yl)methanone;2,2,2-trifluoroacetate is CC(=O)N1CCN(c2cc(Cn3nc(-c4nc(-c5ccc(OC(C)(F)F)cc5)no4)nc3C)ccn2)CC1.CCc1cc(Cn2nc(-c3nc(-c4ccc(OC(C)(F)F)cc4)no3)nc2C)ccn1.COCCCCc1cc(Cn2nc(-c3nc(-c4ccc(OC(C)(F)F)cc4)no3)nc2C)ccn1.Cc1ccc(-c2noc(-c3nc(C)n(Cc4ccc(C(=O)N5CCN(C)CC5)cc4)n3)n2)cc1.Cc1nc(-c2nc(-c3ccc(OC(C)(F)F)cc3)no2)nn1Cc1cc[nH+]c(N2CCS(=O)(=O)CC2)c1.Cc1nc(-c2nc(-c3ccc(OC(C)(F)F)cc3)no2)nn1Cc1ccnc(CCCN2CCOCC2)c1.Cc1nc(-c2nc(-c3ccc(OC(C)(F)F)cc3)no2)nn1Cc1ccnc(N(C)C)c1.Cc1nc(-c2nc(-c3ccc(OC(C)(F)F)cc3)no2)nn1Cc1ccnc(N2CCC(C)(C)CC2)c1.O=C([O-])C(F)(F)F.

What is the InChIKey of 3-[4-(1,1-difluoroethoxy)phenyl]-5-[1-[[2-(4,4-dimethylpiperidin-1-yl)-4-pyridinyl]methyl]-5-methyl-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;3-[4-(1,1-difluoroethoxy)phenyl]-5-[1-[(2-ethyl-4-pyridinyl)methyl]-5-methyl-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;3-[4-(1,1-difluoroethoxy)phenyl]-5-[1-[[2-(4-methoxybutyl)-4-pyridinyl]methyl]-5-methyl-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;4-[[3-[3-[4-(1,1-difluoroethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]-N,N-dimethylpyridin-2-amine;4-[4-[[3-[3-[4-(1,1-difluoroethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]pyridin-1-ium-2-yl]-1,4-thiazinane 1,1-dioxide;1-[4-[4-[[3-[3-[4-(1,1-difluoroethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]-2-pyridinyl]piperazin-1-yl]ethanone;4-[3-[4-[[3-[3-[4-(1,1-difluoroethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]-2-pyridinyl]propyl]morpholine;[4-[[5-methyl-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-1,2,4-triazol-1-yl]methyl]phenyl]-(4-methylpiperazin-1-yl)methanone;2,2,2-trifluoroacetate?

The InChIKey is QQGOVKKOEKGZBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29F2N7O3.C26H29F2N7O2.C25H26F2N8O3.C25H27N7O2.C24H26F2N6O3.C23H23F2N7O4S.C21H21F2N7O2.C21H20F2N6O2.C2HF3O2/c1-18-30-24(25-31-23(33-38-25)20-5-7-22(8-6-20)37-26(2,27)28)32-35(18)17-19-9-10-29-21(16-19)4-3-11-34-12-14-36-15-13-34;1-17-30-23(24-31-22(33-37-24)19-5-7-20(8-6-19)36-26(4,27)28)32-35(17)16-18-9-12-29-21(15-18)34-13-10-25(2,3)11-14-34;1-16-29-23(24-30-22(32-38-24)19-4-6-20(7-5-19)37-25(3,26)27)31-35(16)15-18-8-9-28-21(14-18)34-12-10-33(11-13-34)17(2)36;1-17-4-8-20(9-5-17)22-27-24(34-29-22)23-26-18(2)32(28-23)16-19-6-10-21(11-7-19)25(33)31-14-12-30(3)13-15-31;1-16-28-22(30-32(16)15-17-11-12-27-19(14-17)6-4-5-13-33-3)23-29-21(31-35-23)18-7-9-20(10-8-18)34-24(2,25)26;1-15-27-21(22-28-20(30-36-22)17-3-5-18(6-4-17)35-23(2,24)25)29-32(15)14-16-7-8-26-19(13-16)31-9-11-37(33,34)12-10-31;1-13-25-19(27-30(13)12-14-9-10-24-17(11-14)29(3)4)20-26-18(28-32-20)15-5-7-16(8-6-15)31-21(2,22)23;1-4-16-11-14(9-10-24-16)12-29-13(2)25-19(27-29)20-26-18(28-31-20)15-5-7-17(8-6-15)30-21(3,22)23;3-2(4,5)1(6)7/h5-10,16H,3-4,11-15,17H2,1-2H3;5-9,12,15H,10-11,13-14,16H2,1-4H3;4-9,14H,10-13,15H2,1-3H3;4-11H,12-16H2,1-3H3;7-12,14H,4-6,13,15H2,1-3H3;3-8,13H,9-12,14H2,1-2H3;5-11H,12H2,1-4H3;5-11H,4,12H2,1-3H3;(H,6,7).

What are the key properties of 3-[4-(1,1-difluoroethoxy)phenyl]-5-[1-[[2-(4,4-dimethylpiperidin-1-yl)-4-pyridinyl]methyl]-5-methyl-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;3-[4-(1,1-difluoroethoxy)phenyl]-5-[1-[(2-ethyl-4-pyridinyl)methyl]-5-methyl-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;3-[4-(1,1-difluoroethoxy)phenyl]-5-[1-[[2-(4-methoxybutyl)-4-pyridinyl]methyl]-5-methyl-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;4-[[3-[3-[4-(1,1-difluoroethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]-N,N-dimethylpyridin-2-amine;4-[4-[[3-[3-[4-(1,1-difluoroethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]pyridin-1-ium-2-yl]-1,4-thiazinane 1,1-dioxide;1-[4-[4-[[3-[3-[4-(1,1-difluoroethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]-2-pyridinyl]piperazin-1-yl]ethanone;4-[3-[4-[[3-[3-[4-(1,1-difluoroethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]-2-pyridinyl]propyl]morpholine;[4-[[5-methyl-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-1,2,4-triazol-1-yl]methyl]phenyl]-(4-methylpiperazin-1-yl)methanone;2,2,2-trifluoroacetate?

3-[4-(1,1-difluoroethoxy)phenyl]-5-[1-[[2-(4,4-dimethylpiperidin-1-yl)-4-pyridinyl]methyl]-5-methyl-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;3-[4-(1,1-difluoroethoxy)phenyl]-5-[1-[(2-ethyl-4-pyridinyl)methyl]-5-methyl-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;3-[4-(1,1-difluoroethoxy)phenyl]-5-[1-[[2-(4-methoxybutyl)-4-pyridinyl]methyl]-5-methyl-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;4-[[3-[3-[4-(1,1-difluoroethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]-N,N-dimethylpyridin-2-amine;4-[4-[[3-[3-[4-(1,1-difluoroethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]pyridin-1-ium-2-yl]-1,4-thiazinane 1,1-dioxide;1-[4-[4-[[3-[3-[4-(1,1-difluoroethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]-2-pyridinyl]piperazin-1-yl]ethanone;4-[3-[4-[[3-[3-[4-(1,1-difluoroethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]-2-pyridinyl]propyl]morpholine;[4-[[5-methyl-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-1,2,4-triazol-1-yl]methyl]phenyl]-(4-methylpiperazin-1-yl)methanone;2,2,2-trifluoroacetate has a molecular weight of 4015.13 g/mol, XLogP of 30.33, 61 rotatable bonds, 0 hydrogen bond donors, and 75 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-(1,1-difluoroethoxy)phenyl]-5-[1-[[2-(4,4-dimethylpiperidin-1-yl)-4-pyridinyl]methyl]-5-methyl-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;3-[4-(1,1-difluoroethoxy)phenyl]-5-[1-[(2-ethyl-4-pyridinyl)methyl]-5-methyl-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;3-[4-(1,1-difluoroethoxy)phenyl]-5-[1-[[2-(4-methoxybutyl)-4-pyridinyl]methyl]-5-methyl-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;4-[[3-[3-[4-(1,1-difluoroethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]-N,N-dimethylpyridin-2-amine;4-[4-[[3-[3-[4-(1,1-difluoroethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]pyridin-1-ium-2-yl]-1,4-thiazinane 1,1-dioxide;1-[4-[4-[[3-[3-[4-(1,1-difluoroethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]-2-pyridinyl]piperazin-1-yl]ethanone;4-[3-[4-[[3-[3-[4-(1,1-difluoroethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]-2-pyridinyl]propyl]morpholine;[4-[[5-methyl-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-1,2,4-triazol-1-yl]methyl]phenyl]-(4-methylpiperazin-1-yl)methanone;2,2,2-trifluoroacetate is sourced from PubChem (CID 159345895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).