5-[4-(1,1-difluoroethoxy)phenyl]-2-[5-methyl-1-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-1,2,4-triazol-3-yl]-1,3-oxazole;3-[4-(1,1-difluoroethoxy)phenyl]-5-[5-methyl-1-[[3-(4-methylsulfonylpiperidin-1-yl)phenyl]methyl]-1,2,4-triazol-3-yl]-1,2-oxazole;4-[4-[[3-[5-[4-(1,1-difluoroethoxy)phenyl]-1,3-oxazol-2-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]-2-pyridinyl]morpholine;methane;2-[5-methyl-1-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-1,2,4-triazol-3-yl]-4-[4-(trifluoromethoxy)phenyl]-1,3-thiazole;5-[5-methyl-1-[[3-(4-methylsulfonylpiperazin-1-yl)phenyl]methyl]-1,2,4-triazol-3-yl]-3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole;5-[5-methyl-1-[(3-piperidin-1-ylphenyl)methyl]-1,2,4-triazol-3-yl]-3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole;1-[4-[3-[[5-methyl-3-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-1,2,4-triazol-1-yl]methyl]phenyl]piperazin-1-yl]propan-1-one

C176H185F18N45O19S3 — CID 162144064

About 5-[4-(1,1-difluoroethoxy)phenyl]-2-[5-methyl-1-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-1,2,4-triazol-3-yl]-1,3-oxazole;3-[4-(1,1-difluoroethoxy)phenyl]-5-[5-methyl-1-[[3-(4-methylsulfonylpiperidin-1-yl)phenyl]methyl]-1,2,4-triazol-3-yl]-1,2-oxazole;4-[4-[[3-[5-[4-(1,1-difluoroethoxy)phenyl]-1,3-oxazol-2-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]-2-pyridinyl]morpholine;methane;2-[5-methyl-1-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-1,2,4-triazol-3-yl]-4-[4-(trifluoromethoxy)phenyl]-1,3-thiazole;5-[5-methyl-1-[[3-(4-methylsulfonylpiperazin-1-yl)phenyl]methyl]-1,2,4-triazol-3-yl]-3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole;5-[5-methyl-1-[(3-piperidin-1-ylphenyl)methyl]-1,2,4-triazol-3-yl]-3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole;1-[4-[3-[[5-methyl-3-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-1,2,4-triazol-1-yl]methyl]phenyl]piperazin-1-yl]propan-1-one

5-[4-(1,1-difluoroethoxy)phenyl]-2-[5-methyl-1-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-1,2,4-triazol-3-yl]-1,3-oxazole;3-[4-(1,1-difluoroethoxy)phenyl]-5-[5-methyl-1-[[3-(4-methylsulfonylpiperidin-1-yl)phenyl]methyl]-1,2,4-triazol-3-yl]-1,2-oxazole;4-[4-[[3-[5-[4-(1,1-difluoroethoxy)phenyl]-1,3-oxazol-2-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]-2-pyridinyl]morpholine;methane;2-[5-methyl-1-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-1,2,4-triazol-3-yl]-4-[4-(trifluoromethoxy)phenyl]-1,3-thiazole;5-[5-methyl-1-[[3-(4-methylsulfonylpiperazin-1-yl)phenyl]methyl]-1,2,4-triazol-3-yl]-3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole;5-[5-methyl-1-[(3-piperidin-1-ylphenyl)methyl]-1,2,4-triazol-3-yl]-3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole;1-[4-[3-[[5-methyl-3-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-1,2,4-triazol-1-yl]methyl]phenyl]piperazin-1-yl]propan-1-one (PubChem CID 162144064) has the molecular formula C176H185F18N45O19S3 and a molecular weight of 3672.88 g/mol. Its IUPAC name is 5-[4-(1,1-difluoroethoxy)phenyl]-2-[5-methyl-1-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-1,2,4-triazol-3-yl]-1,3-oxazole;3-[4-(1,1-difluoroethoxy)phenyl]-5-[5-methyl-1-[[3-(4-methylsulfonylpiperidin-1-yl)phenyl]methyl]-1,2,4-triazol-3-yl]-1,2-oxazole;4-[4-[[3-[5-[4-(1,1-difluoroethoxy)phenyl]-1,3-oxazol-2-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]-2-pyridinyl]morpholine;methane;2-[5-methyl-1-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-1,2,4-triazol-3-yl]-4-[4-(trifluoromethoxy)phenyl]-1,3-thiazole;5-[5-methyl-1-[[3-(4-methylsulfonylpiperazin-1-yl)phenyl]methyl]-1,2,4-triazol-3-yl]-3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole;5-[5-methyl-1-[(3-piperidin-1-ylphenyl)methyl]-1,2,4-triazol-3-yl]-3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole;1-[4-[3-[[5-methyl-3-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-1,2,4-triazol-1-yl]methyl]phenyl]piperazin-1-yl]propan-1-one.

Molecular Properties

• Compound Name: 5-[4-(1,1-difluoroethoxy)phenyl]-2-[5-methyl-1-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-1,2,4-triazol-3-yl]-1,3-oxazole;3-[4-(1,1-difluoroethoxy)phenyl]-5-[5-methyl-1-[[3-(4-methylsulfonylpiperidin-1-yl)phenyl]methyl]-1,2,4-triazol-3-yl]-1,2-oxazole;4-[4-[[3-[5-[4-(1,1-difluoroethoxy)phenyl]-1,3-oxazol-2-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]-2-pyridinyl]morpholine;methane;2-[5-methyl-1-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-1,2,4-triazol-3-yl]-4-[4-(trifluoromethoxy)phenyl]-1,3-thiazole;5-[5-methyl-1-[[3-(4-methylsulfonylpiperazin-1-yl)phenyl]methyl]-1,2,4-triazol-3-yl]-3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole;5-[5-methyl-1-[(3-piperidin-1-ylphenyl)methyl]-1,2,4-triazol-3-yl]-3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole;1-[4-[3-[[5-methyl-3-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-1,2,4-triazol-1-yl]methyl]phenyl]piperazin-1-yl]propan-1-one
• PubChem CID: 162144064
• Molecular Formula: C176H185F18N45O19S3
• Molecular Weight: 3672.88 g/mol
• Exact Mass: 3670.38
• IUPAC Name: 5-[4-(1,1-difluoroethoxy)phenyl]-2-[5-methyl-1-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-1,2,4-triazol-3-yl]-1,3-oxazole;3-[4-(1,1-difluoroethoxy)phenyl]-5-[5-methyl-1-[[3-(4-methylsulfonylpiperidin-1-yl)phenyl]methyl]-1,2,4-triazol-3-yl]-1,2-oxazole;4-[4-[[3-[5-[4-(1,1-difluoroethoxy)phenyl]-1,3-oxazol-2-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]-2-pyridinyl]morpholine;methane;2-[5-methyl-1-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-1,2,4-triazol-3-yl]-4-[4-(trifluoromethoxy)phenyl]-1,3-thiazole;5-[5-methyl-1-[[3-(4-methylsulfonylpiperazin-1-yl)phenyl]methyl]-1,2,4-triazol-3-yl]-3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole;5-[5-methyl-1-[(3-piperidin-1-ylphenyl)methyl]-1,2,4-triazol-3-yl]-3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole;1-[4-[3-[[5-methyl-3-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-1,2,4-triazol-1-yl]methyl]phenyl]piperazin-1-yl]propan-1-one
• SMILES: C.C.CCC(=O)N1CCN(c2cccc(Cn3nc(-c4nc(-c5ccc(OC(F)(F)F)cc5)no4)nc3C)c2)CC1.Cc1nc(-c2cc(-c3ccc(OC(C)(F)F)cc3)no2)nn1Cc1cccc(N2CCC(S(C)(=O)=O)CC2)c1.Cc1nc(-c2nc(-c3ccc(OC(F)(F)F)cc3)cs2)nn1Cc1ccnc(N2CCN(C)CC2)c1.Cc1nc(-c2nc(-c3ccc(OC(F)(F)F)cc3)no2)nn1Cc1cccc(N2CCCCC2)c1.Cc1nc(-c2nc(-c3ccc(OC(F)(F)F)cc3)no2)nn1Cc1cccc(N2CCN(S(C)(=O)=O)CC2)c1.Cc1nc(-c2ncc(-c3ccc(OC(C)(F)F)cc3)o2)nn1Cc1ccnc(N2CCN(C)CC2)c1.Cc1nc(-c2ncc(-c3ccc(OC(C)(F)F)cc3)o2)nn1Cc1ccnc(N2CCOCC2)c1
• InChI: InChI=1S/C27H29F2N5O4S.C26H26F3N7O3.C25H27F2N7O2.C24H24F3N7O4S.C24H24F3N7OS.C24H23F3N6O2.C24H24F2N6O3.2CH4/c1-18-30-26(25-16-24(32-38-25)20-7-9-22(10-8-20)37-27(2,28)29)31-34(18)17-19-5-4-6-21(15-19)33-13-11-23(12-14-33)39(3,35)36;1-3-22(37)35-13-11-34(12-14-35)20-6-4-5-18(15-20)16-36-17(2)30-24(32-36)25-31-23(33-39-25)19-7-9-21(10-8-19)38-26(27,28)29;1-17-30-23(24-29-15-21(35-24)19-4-6-20(7-5-19)36-25(2,26)27)31-34(17)16-18-8-9-28-22(14-18)33-12-10-32(3)11-13-33;1-16-28-22(23-29-21(31-38-23)18-6-8-20(9-7-18)37-24(25,26)27)30-34(16)15-17-4-3-5-19(14-17)32-10-12-33(13-11-32)39(2,35)36;1-16-29-22(23-30-20(15-36-23)18-3-5-19(6-4-18)35-24(25,26)27)31-34(16)14-17-7-8-28-21(13-17)33-11-9-32(2)10-12-33;1-16-28-22(23-29-21(31-35-23)18-8-10-20(11-9-18)34-24(25,26)27)30-33(16)15-17-6-5-7-19(14-17)32-12-3-2-4-13-32;1-16-29-22(23-28-14-20(34-23)18-3-5-19(6-4-18)35-24(2,25)26)30-32(16)15-17-7-8-27-21(13-17)31-9-11-33-12-10-31;;/h4-10,15-16,23H,11-14,17H2,1-3H3;4-10,15H,3,11-14,16H2,1-2H3;4-9,14-15H,10-13,16H2,1-3H3;3-9,14H,10-13,15H2,1-2H3;3-8,13,15H,9-12,14H2,1-2H3;5-11,14H,2-4,12-13,15H2,1H3;3-8,13-14H,9-12,15H2,1-2H3;2*1H4
• InChIKey: ZKHVFNZOGBXSBY-UHFFFAOYSA-N
• XLogP: 31.86
• TPSA: 656.21 Ų
• H-Bond Acceptors: 63
• Rotatable Bonds: 48
• Heavy Atoms: 261
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3672.88
LogP ≤ 5	31.86
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	63

Frequently Asked Questions

What is the IUPAC name of 5-[4-(1,1-difluoroethoxy)phenyl]-2-[5-methyl-1-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-1,2,4-triazol-3-yl]-1,3-oxazole;3-[4-(1,1-difluoroethoxy)phenyl]-5-[5-methyl-1-[[3-(4-methylsulfonylpiperidin-1-yl)phenyl]methyl]-1,2,4-triazol-3-yl]-1,2-oxazole;4-[4-[[3-[5-[4-(1,1-difluoroethoxy)phenyl]-1,3-oxazol-2-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]-2-pyridinyl]morpholine;methane;2-[5-methyl-1-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-1,2,4-triazol-3-yl]-4-[4-(trifluoromethoxy)phenyl]-1,3-thiazole;5-[5-methyl-1-[[3-(4-methylsulfonylpiperazin-1-yl)phenyl]methyl]-1,2,4-triazol-3-yl]-3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole;5-[5-methyl-1-[(3-piperidin-1-ylphenyl)methyl]-1,2,4-triazol-3-yl]-3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole;1-[4-[3-[[5-methyl-3-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-1,2,4-triazol-1-yl]methyl]phenyl]piperazin-1-yl]propan-1-one?

The IUPAC name of 5-[4-(1,1-difluoroethoxy)phenyl]-2-[5-methyl-1-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-1,2,4-triazol-3-yl]-1,3-oxazole;3-[4-(1,1-difluoroethoxy)phenyl]-5-[5-methyl-1-[[3-(4-methylsulfonylpiperidin-1-yl)phenyl]methyl]-1,2,4-triazol-3-yl]-1,2-oxazole;4-[4-[[3-[5-[4-(1,1-difluoroethoxy)phenyl]-1,3-oxazol-2-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]-2-pyridinyl]morpholine;methane;2-[5-methyl-1-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-1,2,4-triazol-3-yl]-4-[4-(trifluoromethoxy)phenyl]-1,3-thiazole;5-[5-methyl-1-[[3-(4-methylsulfonylpiperazin-1-yl)phenyl]methyl]-1,2,4-triazol-3-yl]-3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole;5-[5-methyl-1-[(3-piperidin-1-ylphenyl)methyl]-1,2,4-triazol-3-yl]-3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole;1-[4-[3-[[5-methyl-3-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-1,2,4-triazol-1-yl]methyl]phenyl]piperazin-1-yl]propan-1-one (CID 162144064) is 5-[4-(1,1-difluoroethoxy)phenyl]-2-[5-methyl-1-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-1,2,4-triazol-3-yl]-1,3-oxazole;3-[4-(1,1-difluoroethoxy)phenyl]-5-[5-methyl-1-[[3-(4-methylsulfonylpiperidin-1-yl)phenyl]methyl]-1,2,4-triazol-3-yl]-1,2-oxazole;4-[4-[[3-[5-[4-(1,1-difluoroethoxy)phenyl]-1,3-oxazol-2-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]-2-pyridinyl]morpholine;methane;2-[5-methyl-1-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-1,2,4-triazol-3-yl]-4-[4-(trifluoromethoxy)phenyl]-1,3-thiazole;5-[5-methyl-1-[[3-(4-methylsulfonylpiperazin-1-yl)phenyl]methyl]-1,2,4-triazol-3-yl]-3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole;5-[5-methyl-1-[(3-piperidin-1-ylphenyl)methyl]-1,2,4-triazol-3-yl]-3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole;1-[4-[3-[[5-methyl-3-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-1,2,4-triazol-1-yl]methyl]phenyl]piperazin-1-yl]propan-1-one.

What is the SMILES notation for 5-[4-(1,1-difluoroethoxy)phenyl]-2-[5-methyl-1-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-1,2,4-triazol-3-yl]-1,3-oxazole;3-[4-(1,1-difluoroethoxy)phenyl]-5-[5-methyl-1-[[3-(4-methylsulfonylpiperidin-1-yl)phenyl]methyl]-1,2,4-triazol-3-yl]-1,2-oxazole;4-[4-[[3-[5-[4-(1,1-difluoroethoxy)phenyl]-1,3-oxazol-2-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]-2-pyridinyl]morpholine;methane;2-[5-methyl-1-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-1,2,4-triazol-3-yl]-4-[4-(trifluoromethoxy)phenyl]-1,3-thiazole;5-[5-methyl-1-[[3-(4-methylsulfonylpiperazin-1-yl)phenyl]methyl]-1,2,4-triazol-3-yl]-3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole;5-[5-methyl-1-[(3-piperidin-1-ylphenyl)methyl]-1,2,4-triazol-3-yl]-3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole;1-[4-[3-[[5-methyl-3-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-1,2,4-triazol-1-yl]methyl]phenyl]piperazin-1-yl]propan-1-one?

The canonical SMILES for 5-[4-(1,1-difluoroethoxy)phenyl]-2-[5-methyl-1-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-1,2,4-triazol-3-yl]-1,3-oxazole;3-[4-(1,1-difluoroethoxy)phenyl]-5-[5-methyl-1-[[3-(4-methylsulfonylpiperidin-1-yl)phenyl]methyl]-1,2,4-triazol-3-yl]-1,2-oxazole;4-[4-[[3-[5-[4-(1,1-difluoroethoxy)phenyl]-1,3-oxazol-2-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]-2-pyridinyl]morpholine;methane;2-[5-methyl-1-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-1,2,4-triazol-3-yl]-4-[4-(trifluoromethoxy)phenyl]-1,3-thiazole;5-[5-methyl-1-[[3-(4-methylsulfonylpiperazin-1-yl)phenyl]methyl]-1,2,4-triazol-3-yl]-3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole;5-[5-methyl-1-[(3-piperidin-1-ylphenyl)methyl]-1,2,4-triazol-3-yl]-3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole;1-[4-[3-[[5-methyl-3-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-1,2,4-triazol-1-yl]methyl]phenyl]piperazin-1-yl]propan-1-one is C.C.CCC(=O)N1CCN(c2cccc(Cn3nc(-c4nc(-c5ccc(OC(F)(F)F)cc5)no4)nc3C)c2)CC1.Cc1nc(-c2cc(-c3ccc(OC(C)(F)F)cc3)no2)nn1Cc1cccc(N2CCC(S(C)(=O)=O)CC2)c1.Cc1nc(-c2nc(-c3ccc(OC(F)(F)F)cc3)cs2)nn1Cc1ccnc(N2CCN(C)CC2)c1.Cc1nc(-c2nc(-c3ccc(OC(F)(F)F)cc3)no2)nn1Cc1cccc(N2CCCCC2)c1.Cc1nc(-c2nc(-c3ccc(OC(F)(F)F)cc3)no2)nn1Cc1cccc(N2CCN(S(C)(=O)=O)CC2)c1.Cc1nc(-c2ncc(-c3ccc(OC(C)(F)F)cc3)o2)nn1Cc1ccnc(N2CCN(C)CC2)c1.Cc1nc(-c2ncc(-c3ccc(OC(C)(F)F)cc3)o2)nn1Cc1ccnc(N2CCOCC2)c1.

What is the InChIKey of 5-[4-(1,1-difluoroethoxy)phenyl]-2-[5-methyl-1-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-1,2,4-triazol-3-yl]-1,3-oxazole;3-[4-(1,1-difluoroethoxy)phenyl]-5-[5-methyl-1-[[3-(4-methylsulfonylpiperidin-1-yl)phenyl]methyl]-1,2,4-triazol-3-yl]-1,2-oxazole;4-[4-[[3-[5-[4-(1,1-difluoroethoxy)phenyl]-1,3-oxazol-2-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]-2-pyridinyl]morpholine;methane;2-[5-methyl-1-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-1,2,4-triazol-3-yl]-4-[4-(trifluoromethoxy)phenyl]-1,3-thiazole;5-[5-methyl-1-[[3-(4-methylsulfonylpiperazin-1-yl)phenyl]methyl]-1,2,4-triazol-3-yl]-3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole;5-[5-methyl-1-[(3-piperidin-1-ylphenyl)methyl]-1,2,4-triazol-3-yl]-3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole;1-[4-[3-[[5-methyl-3-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-1,2,4-triazol-1-yl]methyl]phenyl]piperazin-1-yl]propan-1-one?

The InChIKey is ZKHVFNZOGBXSBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29F2N5O4S.C26H26F3N7O3.C25H27F2N7O2.C24H24F3N7O4S.C24H24F3N7OS.C24H23F3N6O2.C24H24F2N6O3.2CH4/c1-18-30-26(25-16-24(32-38-25)20-7-9-22(10-8-20)37-27(2,28)29)31-34(18)17-19-5-4-6-21(15-19)33-13-11-23(12-14-33)39(3,35)36;1-3-22(37)35-13-11-34(12-14-35)20-6-4-5-18(15-20)16-36-17(2)30-24(32-36)25-31-23(33-39-25)19-7-9-21(10-8-19)38-26(27,28)29;1-17-30-23(24-29-15-21(35-24)19-4-6-20(7-5-19)36-25(2,26)27)31-34(17)16-18-8-9-28-22(14-18)33-12-10-32(3)11-13-33;1-16-28-22(23-29-21(31-38-23)18-6-8-20(9-7-18)37-24(25,26)27)30-34(16)15-17-4-3-5-19(14-17)32-10-12-33(13-11-32)39(2,35)36;1-16-29-22(23-30-20(15-36-23)18-3-5-19(6-4-18)35-24(25,26)27)31-34(16)14-17-7-8-28-21(13-17)33-11-9-32(2)10-12-33;1-16-28-22(23-29-21(31-35-23)18-8-10-20(11-9-18)34-24(25,26)27)30-33(16)15-17-6-5-7-19(14-17)32-12-3-2-4-13-32;1-16-29-22(23-28-14-20(34-23)18-3-5-19(6-4-18)35-24(2,25)26)30-32(16)15-17-7-8-27-21(13-17)31-9-11-33-12-10-31;;/h4-10,15-16,23H,11-14,17H2,1-3H3;4-10,15H,3,11-14,16H2,1-2H3;4-9,14-15H,10-13,16H2,1-3H3;3-9,14H,10-13,15H2,1-2H3;3-8,13,15H,9-12,14H2,1-2H3;5-11,14H,2-4,12-13,15H2,1H3;3-8,13-14H,9-12,15H2,1-2H3;2*1H4.

What are the key properties of 5-[4-(1,1-difluoroethoxy)phenyl]-2-[5-methyl-1-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-1,2,4-triazol-3-yl]-1,3-oxazole;3-[4-(1,1-difluoroethoxy)phenyl]-5-[5-methyl-1-[[3-(4-methylsulfonylpiperidin-1-yl)phenyl]methyl]-1,2,4-triazol-3-yl]-1,2-oxazole;4-[4-[[3-[5-[4-(1,1-difluoroethoxy)phenyl]-1,3-oxazol-2-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]-2-pyridinyl]morpholine;methane;2-[5-methyl-1-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-1,2,4-triazol-3-yl]-4-[4-(trifluoromethoxy)phenyl]-1,3-thiazole;5-[5-methyl-1-[[3-(4-methylsulfonylpiperazin-1-yl)phenyl]methyl]-1,2,4-triazol-3-yl]-3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole;5-[5-methyl-1-[(3-piperidin-1-ylphenyl)methyl]-1,2,4-triazol-3-yl]-3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole;1-[4-[3-[[5-methyl-3-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-1,2,4-triazol-1-yl]methyl]phenyl]piperazin-1-yl]propan-1-one?

5-[4-(1,1-difluoroethoxy)phenyl]-2-[5-methyl-1-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-1,2,4-triazol-3-yl]-1,3-oxazole;3-[4-(1,1-difluoroethoxy)phenyl]-5-[5-methyl-1-[[3-(4-methylsulfonylpiperidin-1-yl)phenyl]methyl]-1,2,4-triazol-3-yl]-1,2-oxazole;4-[4-[[3-[5-[4-(1,1-difluoroethoxy)phenyl]-1,3-oxazol-2-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]-2-pyridinyl]morpholine;methane;2-[5-methyl-1-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-1,2,4-triazol-3-yl]-4-[4-(trifluoromethoxy)phenyl]-1,3-thiazole;5-[5-methyl-1-[[3-(4-methylsulfonylpiperazin-1-yl)phenyl]methyl]-1,2,4-triazol-3-yl]-3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole;5-[5-methyl-1-[(3-piperidin-1-ylphenyl)methyl]-1,2,4-triazol-3-yl]-3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole;1-[4-[3-[[5-methyl-3-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-1,2,4-triazol-1-yl]methyl]phenyl]piperazin-1-yl]propan-1-one has a molecular weight of 3672.88 g/mol, XLogP of 31.86, 48 rotatable bonds, 0 hydrogen bond donors, and 63 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-(1,1-difluoroethoxy)phenyl]-2-[5-methyl-1-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-1,2,4-triazol-3-yl]-1,3-oxazole;3-[4-(1,1-difluoroethoxy)phenyl]-5-[5-methyl-1-[[3-(4-methylsulfonylpiperidin-1-yl)phenyl]methyl]-1,2,4-triazol-3-yl]-1,2-oxazole;4-[4-[[3-[5-[4-(1,1-difluoroethoxy)phenyl]-1,3-oxazol-2-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]-2-pyridinyl]morpholine;methane;2-[5-methyl-1-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-1,2,4-triazol-3-yl]-4-[4-(trifluoromethoxy)phenyl]-1,3-thiazole;5-[5-methyl-1-[[3-(4-methylsulfonylpiperazin-1-yl)phenyl]methyl]-1,2,4-triazol-3-yl]-3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole;5-[5-methyl-1-[(3-piperidin-1-ylphenyl)methyl]-1,2,4-triazol-3-yl]-3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole;1-[4-[3-[[5-methyl-3-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-1,2,4-triazol-1-yl]methyl]phenyl]piperazin-1-yl]propan-1-one is sourced from PubChem (CID 162144064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).