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-[5-methyl-1-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;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;1-[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]piperidine-4-carbonitrile;1-[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]piperidin-4-ol;3-[4-(1-fluoroethoxy)phenyl]-5-[5-methyl-1-[[2-(4-methylpiperazin-4-ium-1-yl)pyridin-1-ium-4-yl]methyl]-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;N-(3-methoxypropyl)-3-[[5-methyl-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-1,2,4-triazol-1-yl]methyl]benzamide;5-[5-methyl-1-[[3-(4-methylpiperidin-1-yl)phenyl]methyl]-1,2,4-triazol-3-yl]-3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole;tetrakis(2,2,2-trifluoroacetate)

C227H231F28N64O31S- — CID 157204266

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-[5-methyl-1-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;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;1-[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]piperidine-4-carbonitrile;1-[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]piperidin-4-ol;3-[4-(1-fluoroethoxy)phenyl]-5-[5-methyl-1-[[2-(4-methylpiperazin-4-ium-1-yl)pyridin-1-ium-4-yl]methyl]-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;N-(3-methoxypropyl)-3-[[5-methyl-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-1,2,4-triazol-1-yl]methyl]benzamide;5-[5-methyl-1-[[3-(4-methylpiperidin-1-yl)phenyl]methyl]-1,2,4-triazol-3-yl]-3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole;tetrakis(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-[5-methyl-1-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;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;1-[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]piperidine-4-carbonitrile;1-[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]piperidin-4-ol;3-[4-(1-fluoroethoxy)phenyl]-5-[5-methyl-1-[[2-(4-methylpiperazin-4-ium-1-yl)pyridin-1-ium-4-yl]methyl]-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;N-(3-methoxypropyl)-3-[[5-methyl-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-1,2,4-triazol-1-yl]methyl]benzamide;5-[5-methyl-1-[[3-(4-methylpiperidin-1-yl)phenyl]methyl]-1,2,4-triazol-3-yl]-3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole;tetrakis(2,2,2-trifluoroacetate) (PubChem CID 157204266) has the molecular formula C227H231F28N64O31S- and a molecular weight of 4915.77 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-[5-methyl-1-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;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;1-[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]piperidine-4-carbonitrile;1-[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]piperidin-4-ol;3-[4-(1-fluoroethoxy)phenyl]-5-[5-methyl-1-[[2-(4-methylpiperazin-4-ium-1-yl)pyridin-1-ium-4-yl]methyl]-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;N-(3-methoxypropyl)-3-[[5-methyl-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-1,2,4-triazol-1-yl]methyl]benzamide;5-[5-methyl-1-[[3-(4-methylpiperidin-1-yl)phenyl]methyl]-1,2,4-triazol-3-yl]-3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole;tetrakis(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-[5-methyl-1-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;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;1-[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]piperidine-4-carbonitrile;1-[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]piperidin-4-ol;3-[4-(1-fluoroethoxy)phenyl]-5-[5-methyl-1-[[2-(4-methylpiperazin-4-ium-1-yl)pyridin-1-ium-4-yl]methyl]-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;N-(3-methoxypropyl)-3-[[5-methyl-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-1,2,4-triazol-1-yl]methyl]benzamide;5-[5-methyl-1-[[3-(4-methylpiperidin-1-yl)phenyl]methyl]-1,2,4-triazol-3-yl]-3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole;tetrakis(2,2,2-trifluoroacetate)
• PubChem CID: 157204266
• Molecular Formula: C227H231F28N64O31S-
• Molecular Weight: 4915.77 g/mol
• Exact Mass: 4912.77
• 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-[5-methyl-1-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;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;1-[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]piperidine-4-carbonitrile;1-[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]piperidin-4-ol;3-[4-(1-fluoroethoxy)phenyl]-5-[5-methyl-1-[[2-(4-methylpiperazin-4-ium-1-yl)pyridin-1-ium-4-yl]methyl]-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;N-(3-methoxypropyl)-3-[[5-methyl-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-1,2,4-triazol-1-yl]methyl]benzamide;5-[5-methyl-1-[[3-(4-methylpiperidin-1-yl)phenyl]methyl]-1,2,4-triazol-3-yl]-3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole;tetrakis(2,2,2-trifluoroacetate)
• SMILES: CC(=O)N1CCN(c2cc(Cn3nc(-c4nc(-c5ccc(OC(C)(F)F)cc5)no4)nc3C)ccn2)CC1.COCCCNC(=O)c1cccc(Cn2nc(-c3nc(-c4ccc(C)cc4)no3)nc2C)c1.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(N2CCC(C#N)CC2)c1.Cc1nc(-c2nc(-c3ccc(OC(C)(F)F)cc3)no2)nn1Cc1ccnc(N2CCC(C)(C)CC2)c1.Cc1nc(-c2nc(-c3ccc(OC(C)(F)F)cc3)no2)nn1Cc1ccnc(N2CCC(O)CC2)c1.Cc1nc(-c2nc(-c3ccc(OC(C)(F)F)cc3)no2)nn1Cc1ccnc(N2CCCC2)c1.Cc1nc(-c2nc(-c3ccc(OC(C)F)cc3)no2)nn1Cc1cc[nH+]c(N2CC[NH+](C)CC2)c1.Cc1nc(-c2nc(-c3ccc(OC(F)(F)F)cc3)no2)nn1Cc1cccc(N2CCC(C)CC2)c1.O=C([O-])C(F)(F)F.O=C([O-])C(F)(F)F.O=C([O-])C(F)(F)F.O=C([O-])C(F)(F)F
• InChI: InChI=1S/C26H29F2N7O2.C25H25F3N6O2.C25H26F2N8O3.C25H24F2N8O2.C24H25F2N7O3.C24H27FN8O2.C24H26N6O3.C23H23F2N7O4S.C23H23F2N7O2.4C2HF3O2/c1-17-30-23(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;1-16-10-12-33(13-11-16)20-5-3-4-18(14-20)15-34-17(2)29-23(31-34)24-30-22(32-36-24)19-6-8-21(9-7-19)35-25(26,27)28;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;1-16-30-23(24-31-22(33-37-24)19-3-5-20(6-4-19)36-25(2,26)27)32-35(16)15-18-7-10-29-21(13-18)34-11-8-17(14-28)9-12-34;1-15-28-22(23-29-21(31-36-23)17-3-5-19(6-4-17)35-24(2,25)26)30-33(15)14-16-7-10-27-20(13-16)32-11-8-18(34)9-12-32;1-16(25)34-20-6-4-19(5-7-20)22-28-24(35-30-22)23-27-17(2)33(29-23)15-18-8-9-26-21(14-18)32-12-10-31(3)11-13-32;1-16-8-10-19(11-9-16)21-27-24(33-29-21)22-26-17(2)30(28-22)15-18-6-4-7-20(14-18)23(31)25-12-5-13-32-3;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;1-15-27-21(29-32(15)14-16-9-10-26-19(13-16)31-11-3-4-12-31)22-28-20(30-34-22)17-5-7-18(8-6-17)33-23(2,24)25;4*3-2(4,5)1(6)7/h5-9,12,15H,10-11,13-14,16H2,1-4H3;3-9,14,16H,10-13,15H2,1-2H3;4-9,14H,10-13,15H2,1-3H3;3-7,10,13,17H,8-9,11-12,15H2,1-2H3;3-7,10,13,18,34H,8-9,11-12,14H2,1-2H3;4-9,14,16H,10-13,15H2,1-3H3;4,6-11,14H,5,12-13,15H2,1-3H3,(H,25,31);3-8,13H,9-12,14H2,1-2H3;5-10,13H,3-4,11-12,14H2,1-2H3;4*(H,6,7)/p-1
• InChIKey: VAULYASCIRJAMY-UHFFFAOYSA-M
• XLogP: 30.98
• TPSA: 1120.92 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 90
• Rotatable Bonds: 64
• Heavy Atoms: 351
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	4915.77
LogP ≤ 5	30.98
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	90

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-[5-methyl-1-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;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;1-[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]piperidine-4-carbonitrile;1-[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]piperidin-4-ol;3-[4-(1-fluoroethoxy)phenyl]-5-[5-methyl-1-[[2-(4-methylpiperazin-4-ium-1-yl)pyridin-1-ium-4-yl]methyl]-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;N-(3-methoxypropyl)-3-[[5-methyl-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-1,2,4-triazol-1-yl]methyl]benzamide;5-[5-methyl-1-[[3-(4-methylpiperidin-1-yl)phenyl]methyl]-1,2,4-triazol-3-yl]-3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole;tetrakis(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-[5-methyl-1-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;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;1-[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]piperidine-4-carbonitrile;1-[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]piperidin-4-ol;3-[4-(1-fluoroethoxy)phenyl]-5-[5-methyl-1-[[2-(4-methylpiperazin-4-ium-1-yl)pyridin-1-ium-4-yl]methyl]-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;N-(3-methoxypropyl)-3-[[5-methyl-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-1,2,4-triazol-1-yl]methyl]benzamide;5-[5-methyl-1-[[3-(4-methylpiperidin-1-yl)phenyl]methyl]-1,2,4-triazol-3-yl]-3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole;tetrakis(2,2,2-trifluoroacetate) (CID 157204266) 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-[5-methyl-1-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;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;1-[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]piperidine-4-carbonitrile;1-[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]piperidin-4-ol;3-[4-(1-fluoroethoxy)phenyl]-5-[5-methyl-1-[[2-(4-methylpiperazin-4-ium-1-yl)pyridin-1-ium-4-yl]methyl]-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;N-(3-methoxypropyl)-3-[[5-methyl-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-1,2,4-triazol-1-yl]methyl]benzamide;5-[5-methyl-1-[[3-(4-methylpiperidin-1-yl)phenyl]methyl]-1,2,4-triazol-3-yl]-3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole;tetrakis(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-[5-methyl-1-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;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;1-[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]piperidine-4-carbonitrile;1-[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]piperidin-4-ol;3-[4-(1-fluoroethoxy)phenyl]-5-[5-methyl-1-[[2-(4-methylpiperazin-4-ium-1-yl)pyridin-1-ium-4-yl]methyl]-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;N-(3-methoxypropyl)-3-[[5-methyl-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-1,2,4-triazol-1-yl]methyl]benzamide;5-[5-methyl-1-[[3-(4-methylpiperidin-1-yl)phenyl]methyl]-1,2,4-triazol-3-yl]-3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole;tetrakis(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-[5-methyl-1-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;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;1-[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]piperidine-4-carbonitrile;1-[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]piperidin-4-ol;3-[4-(1-fluoroethoxy)phenyl]-5-[5-methyl-1-[[2-(4-methylpiperazin-4-ium-1-yl)pyridin-1-ium-4-yl]methyl]-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;N-(3-methoxypropyl)-3-[[5-methyl-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-1,2,4-triazol-1-yl]methyl]benzamide;5-[5-methyl-1-[[3-(4-methylpiperidin-1-yl)phenyl]methyl]-1,2,4-triazol-3-yl]-3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole;tetrakis(2,2,2-trifluoroacetate) is CC(=O)N1CCN(c2cc(Cn3nc(-c4nc(-c5ccc(OC(C)(F)F)cc5)no4)nc3C)ccn2)CC1.COCCCNC(=O)c1cccc(Cn2nc(-c3nc(-c4ccc(C)cc4)no3)nc2C)c1.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(N2CCC(C#N)CC2)c1.Cc1nc(-c2nc(-c3ccc(OC(C)(F)F)cc3)no2)nn1Cc1ccnc(N2CCC(C)(C)CC2)c1.Cc1nc(-c2nc(-c3ccc(OC(C)(F)F)cc3)no2)nn1Cc1ccnc(N2CCC(O)CC2)c1.Cc1nc(-c2nc(-c3ccc(OC(C)(F)F)cc3)no2)nn1Cc1ccnc(N2CCCC2)c1.Cc1nc(-c2nc(-c3ccc(OC(C)F)cc3)no2)nn1Cc1cc[nH+]c(N2CC[NH+](C)CC2)c1.Cc1nc(-c2nc(-c3ccc(OC(F)(F)F)cc3)no2)nn1Cc1cccc(N2CCC(C)CC2)c1.O=C([O-])C(F)(F)F.O=C([O-])C(F)(F)F.O=C([O-])C(F)(F)F.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-[5-methyl-1-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;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;1-[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]piperidine-4-carbonitrile;1-[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]piperidin-4-ol;3-[4-(1-fluoroethoxy)phenyl]-5-[5-methyl-1-[[2-(4-methylpiperazin-4-ium-1-yl)pyridin-1-ium-4-yl]methyl]-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;N-(3-methoxypropyl)-3-[[5-methyl-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-1,2,4-triazol-1-yl]methyl]benzamide;5-[5-methyl-1-[[3-(4-methylpiperidin-1-yl)phenyl]methyl]-1,2,4-triazol-3-yl]-3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole;tetrakis(2,2,2-trifluoroacetate)?

The InChIKey is VAULYASCIRJAMY-UHFFFAOYSA-M. The full InChI is InChI=1S/C26H29F2N7O2.C25H25F3N6O2.C25H26F2N8O3.C25H24F2N8O2.C24H25F2N7O3.C24H27FN8O2.C24H26N6O3.C23H23F2N7O4S.C23H23F2N7O2.4C2HF3O2/c1-17-30-23(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;1-16-10-12-33(13-11-16)20-5-3-4-18(14-20)15-34-17(2)29-23(31-34)24-30-22(32-36-24)19-6-8-21(9-7-19)35-25(26,27)28;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;1-16-30-23(24-31-22(33-37-24)19-3-5-20(6-4-19)36-25(2,26)27)32-35(16)15-18-7-10-29-21(13-18)34-11-8-17(14-28)9-12-34;1-15-28-22(23-29-21(31-36-23)17-3-5-19(6-4-17)35-24(2,25)26)30-33(15)14-16-7-10-27-20(13-16)32-11-8-18(34)9-12-32;1-16(25)34-20-6-4-19(5-7-20)22-28-24(35-30-22)23-27-17(2)33(29-23)15-18-8-9-26-21(14-18)32-12-10-31(3)11-13-32;1-16-8-10-19(11-9-16)21-27-24(33-29-21)22-26-17(2)30(28-22)15-18-6-4-7-20(14-18)23(31)25-12-5-13-32-3;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;1-15-27-21(29-32(15)14-16-9-10-26-19(13-16)31-11-3-4-12-31)22-28-20(30-34-22)17-5-7-18(8-6-17)33-23(2,24)25;4*3-2(4,5)1(6)7/h5-9,12,15H,10-11,13-14,16H2,1-4H3;3-9,14,16H,10-13,15H2,1-2H3;4-9,14H,10-13,15H2,1-3H3;3-7,10,13,17H,8-9,11-12,15H2,1-2H3;3-7,10,13,18,34H,8-9,11-12,14H2,1-2H3;4-9,14,16H,10-13,15H2,1-3H3;4,6-11,14H,5,12-13,15H2,1-3H3,(H,25,31);3-8,13H,9-12,14H2,1-2H3;5-10,13H,3-4,11-12,14H2,1-2H3;4*(H,6,7)/p-1.

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-[5-methyl-1-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;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;1-[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]piperidine-4-carbonitrile;1-[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]piperidin-4-ol;3-[4-(1-fluoroethoxy)phenyl]-5-[5-methyl-1-[[2-(4-methylpiperazin-4-ium-1-yl)pyridin-1-ium-4-yl]methyl]-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;N-(3-methoxypropyl)-3-[[5-methyl-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-1,2,4-triazol-1-yl]methyl]benzamide;5-[5-methyl-1-[[3-(4-methylpiperidin-1-yl)phenyl]methyl]-1,2,4-triazol-3-yl]-3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole;tetrakis(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-[5-methyl-1-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;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;1-[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]piperidine-4-carbonitrile;1-[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]piperidin-4-ol;3-[4-(1-fluoroethoxy)phenyl]-5-[5-methyl-1-[[2-(4-methylpiperazin-4-ium-1-yl)pyridin-1-ium-4-yl]methyl]-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;N-(3-methoxypropyl)-3-[[5-methyl-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-1,2,4-triazol-1-yl]methyl]benzamide;5-[5-methyl-1-[[3-(4-methylpiperidin-1-yl)phenyl]methyl]-1,2,4-triazol-3-yl]-3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole;tetrakis(2,2,2-trifluoroacetate) has a molecular weight of 4915.77 g/mol, XLogP of 30.98, 64 rotatable bonds, 3 hydrogen bond donors, and 90 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-[5-methyl-1-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;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;1-[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]piperidine-4-carbonitrile;1-[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]piperidin-4-ol;3-[4-(1-fluoroethoxy)phenyl]-5-[5-methyl-1-[[2-(4-methylpiperazin-4-ium-1-yl)pyridin-1-ium-4-yl]methyl]-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;N-(3-methoxypropyl)-3-[[5-methyl-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-1,2,4-triazol-1-yl]methyl]benzamide;5-[5-methyl-1-[[3-(4-methylpiperidin-1-yl)phenyl]methyl]-1,2,4-triazol-3-yl]-3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole;tetrakis(2,2,2-trifluoroacetate) is sourced from PubChem (CID 157204266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).