2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]-4-[[4-fluoro-6-(triazol-1-yl)-3-pyridinyl]oxymethyl]-1,3-thiazole;2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]-4-[[6-(triazol-1-yl)-3-pyridinyl]oxymethyl]-1,3-thiazole;2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-4-[[2-fluoro-4-(triazol-1-yl)phenoxy]methyl]-1,3-oxazole;2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-4-[[6-(triazol-1-yl)-3-pyridinyl]oxymethyl]-1,3-thiazole;4-[[2-fluoro-4-(triazol-1-yl)phenoxy]methyl]-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]-1,3-thiazole;4-[[6-(triazol-1-yl)-3-pyridinyl]oxymethyl]-2-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]-1,3-thiazole

C128H126Cl2F6N46O7S5 — CID 159627438

IUPAC2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]-4-[[4-fluoro-6-(triazol-1-yl)-3-pyridinyl]oxymethyl]-1,3-thiazole;2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]-4-[[6-(triazol-1-yl)-3-pyridinyl]oxymethyl]-1,3-thiazole;2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-4-[[2-fluoro-4-(triazol-1-yl)phenoxy]methyl]-1,3-oxazole;2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-4-[[6-(triazol-1-yl)-3-pyridinyl]oxymethyl]-1,3-thiazole;4-[[2-fluoro-4-(triazol-1-yl)phenoxy]methyl]-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]-1,3-thiazole;4-[[6-(triazol-1-yl)-3-pyridinyl]oxymethyl]-2-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]-1,3-thiazole
SMILESCCc1cnc(N2CCC(c3nc(COc4ccc(-n5ccnn5)cc4F)co3)CC2)nc1.CCc1cnc(N2CCC(c3nc(COc4ccc(-n5ccnn5)nc4)cs3)CC2)nc1.Cc1cnc(N2CCC(c3nc(COc4ccc(-n5ccnn5)cc4F)cs3)CC2)nc1.Clc1cnc(N2CCC(c3nc(COc4ccc(-n5ccnn5)nc4)cs3)CC2)nc1.FC(F)(F)c1cnc(N2CCC(c3nc(COc4ccc(-n5ccnn5)nc4)cs3)CC2)nc1.Fc1cc(-n2ccnn2)ncc1OCc1csc(C2CCN(c3ncc(Cl)cn3)CC2)n1
InChIInChI=1S/C23H24FN7O2.C22H22FN7OS.C22H24N8OS.C21H19F3N8OS.C20H18ClFN8OS.C20H19ClN8OS/c1-2-16-12-25-23(26-13-16)30-8-5-17(6-9-30)22-28-18(15-33-22)14-32-21-4-3-19(11-20(21)24)31-10-7-27-29-31;1-15-11-24-22(25-12-15)29-7-4-16(5-8-29)21-27-17(14-32-21)13-31-20-3-2-18(10-19(20)23)30-9-6-26-28-30;1-2-16-11-24-22(25-12-16)29-8-5-17(6-9-29)21-27-18(15-32-21)14-31-19-3-4-20(23-13-19)30-10-7-26-28-30;22-21(23,24)15-9-26-20(27-10-15)31-6-3-14(4-7-31)19-29-16(13-34-19)12-33-17-1-2-18(25-11-17)32-8-5-28-30-32;21-14-8-24-20(25-9-14)29-4-1-13(2-5-29)19-27-15(12-32-19)11-31-17-10-23-18(7-16(17)22)30-6-3-26-28-30;21-15-9-23-20(24-10-15)28-6-3-14(4-7-28)19-26-16(13-31-19)12-30-17-1-2-18(22-11-17)29-8-5-25-27-29/h3-4,7,10-13,15,17H,2,5-6,8-9,14H2,1H3;2-3,6,9-12,14,16H,4-5,7-8,13H2,1H3;3-4,7,10-13,15,17H,2,5-6,8-9,14H2,1H3;1-2,5,8-11,13-14H,3-4,6-7,12H2;3,6-10,12-13H,1-2,4-5,11H2;1-2,5,8-11,13-14H,3-4,6-7,12H2
InChIKeyMORJIQRXAPEUSK-UHFFFAOYSA-N
MW2765.96 g/mol
LogP22.15
Rot. Bonds38

About 2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]-4-[[4-fluoro-6-(triazol-1-yl)-3-pyridinyl]oxymethyl]-1,3-thiazole;2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]-4-[[6-(triazol-1-yl)-3-pyridinyl]oxymethyl]-1,3-thiazole;2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-4-[[2-fluoro-4-(triazol-1-yl)phenoxy]methyl]-1,3-oxazole;2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-4-[[6-(triazol-1-yl)-3-pyridinyl]oxymethyl]-1,3-thiazole;4-[[2-fluoro-4-(triazol-1-yl)phenoxy]methyl]-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]-1,3-thiazole;4-[[6-(triazol-1-yl)-3-pyridinyl]oxymethyl]-2-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]-1,3-thiazole

2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]-4-[[4-fluoro-6-(triazol-1-yl)-3-pyridinyl]oxymethyl]-1,3-thiazole;2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]-4-[[6-(triazol-1-yl)-3-pyridinyl]oxymethyl]-1,3-thiazole;2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-4-[[2-fluoro-4-(triazol-1-yl)phenoxy]methyl]-1,3-oxazole;2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-4-[[6-(triazol-1-yl)-3-pyridinyl]oxymethyl]-1,3-thiazole;4-[[2-fluoro-4-(triazol-1-yl)phenoxy]methyl]-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]-1,3-thiazole;4-[[6-(triazol-1-yl)-3-pyridinyl]oxymethyl]-2-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]-1,3-thiazole (PubChem CID 159627438) has the molecular formula C128H126Cl2F6N46O7S5 and a molecular weight of 2765.96 g/mol. Its IUPAC name is 2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]-4-[[4-fluoro-6-(triazol-1-yl)-3-pyridinyl]oxymethyl]-1,3-thiazole;2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]-4-[[6-(triazol-1-yl)-3-pyridinyl]oxymethyl]-1,3-thiazole;2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-4-[[2-fluoro-4-(triazol-1-yl)phenoxy]methyl]-1,3-oxazole;2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-4-[[6-(triazol-1-yl)-3-pyridinyl]oxymethyl]-1,3-thiazole;4-[[2-fluoro-4-(triazol-1-yl)phenoxy]methyl]-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]-1,3-thiazole;4-[[6-(triazol-1-yl)-3-pyridinyl]oxymethyl]-2-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]-4-[[4-fluoro-6-(triazol-1-yl)-3-pyridinyl]oxymethyl]-1,3-thiazole;2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]-4-[[6-(triazol-1-yl)-3-pyridinyl]oxymethyl]-1,3-thiazole;2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-4-[[2-fluoro-4-(triazol-1-yl)phenoxy]methyl]-1,3-oxazole;2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-4-[[6-(triazol-1-yl)-3-pyridinyl]oxymethyl]-1,3-thiazole;4-[[2-fluoro-4-(triazol-1-yl)phenoxy]methyl]-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]-1,3-thiazole;4-[[6-(triazol-1-yl)-3-pyridinyl]oxymethyl]-2-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]-1,3-thiazole
PubChem CID159627438
Molecular FormulaC128H126Cl2F6N46O7S5
Molecular Weight2765.96 g/mol
Exact Mass2762.88
IUPAC Name2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]-4-[[4-fluoro-6-(triazol-1-yl)-3-pyridinyl]oxymethyl]-1,3-thiazole;2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]-4-[[6-(triazol-1-yl)-3-pyridinyl]oxymethyl]-1,3-thiazole;2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-4-[[2-fluoro-4-(triazol-1-yl)phenoxy]methyl]-1,3-oxazole;2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-4-[[6-(triazol-1-yl)-3-pyridinyl]oxymethyl]-1,3-thiazole;4-[[2-fluoro-4-(triazol-1-yl)phenoxy]methyl]-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]-1,3-thiazole;4-[[6-(triazol-1-yl)-3-pyridinyl]oxymethyl]-2-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]-1,3-thiazole
SMILESCCc1cnc(N2CCC(c3nc(COc4ccc(-n5ccnn5)cc4F)co3)CC2)nc1.CCc1cnc(N2CCC(c3nc(COc4ccc(-n5ccnn5)nc4)cs3)CC2)nc1.Cc1cnc(N2CCC(c3nc(COc4ccc(-n5ccnn5)cc4F)cs3)CC2)nc1.Clc1cnc(N2CCC(c3nc(COc4ccc(-n5ccnn5)nc4)cs3)CC2)nc1.FC(F)(F)c1cnc(N2CCC(c3nc(COc4ccc(-n5ccnn5)nc4)cs3)CC2)nc1.Fc1cc(-n2ccnn2)ncc1OCc1csc(C2CCN(c3ncc(Cl)cn3)CC2)n1
InChIInChI=1S/C23H24FN7O2.C22H22FN7OS.C22H24N8OS.C21H19F3N8OS.C20H18ClFN8OS.C20H19ClN8OS/c1-2-16-12-25-23(26-13-16)30-8-5-17(6-9-30)22-28-18(15-33-22)14-32-21-4-3-19(11-20(21)24)31-10-7-27-29-31;1-15-11-24-22(25-12-15)29-7-4-16(5-8-29)21-27-17(14-32-21)13-31-20-3-2-18(10-19(20)23)30-9-6-26-28-30;1-2-16-11-24-22(25-12-16)29-8-5-17(6-9-29)21-27-18(15-32-21)14-31-19-3-4-20(23-13-19)30-10-7-26-28-30;22-21(23,24)15-9-26-20(27-10-15)31-6-3-14(4-7-31)19-29-16(13-34-19)12-33-17-1-2-18(25-11-17)32-8-5-28-30-32;21-14-8-24-20(25-9-14)29-4-1-13(2-5-29)19-27-15(12-32-19)11-31-17-10-23-18(7-16(17)22)30-6-3-26-28-30;21-15-9-23-20(24-10-15)28-6-3-14(4-7-28)19-26-16(13-31-19)12-30-17-1-2-18(22-11-17)29-8-5-25-27-29/h3-4,7,10-13,15,17H,2,5-6,8-9,14H2,1H3;2-3,6,9-12,14,16H,4-5,7-8,13H2,1H3;3-4,7,10-13,15,17H,2,5-6,8-9,14H2,1H3;1-2,5,8-11,13-14H,3-4,6-7,12H2;3,6-10,12-13H,1-2,4-5,11H2;1-2,5,8-11,13-14H,3-4,6-7,12H2
InChIKeyMORJIQRXAPEUSK-UHFFFAOYSA-N
XLogP22.15
TPSA555.80 Ų
H-Bond Donors
H-Bond Acceptors58
Rotatable Bonds38
Heavy Atoms194
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002765.96
LogP ≤ 522.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1058

Analyze 2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]-4-[[4-fluoro-6-(triazol-1-yl)-3-pyridinyl]oxymethyl]-1,3-thiazole;2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]-4-[[6-(triazol-1-yl)-3-pyridinyl]oxymethyl]-1,3-thiazole;2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-4-[[2-fluoro-4-(triazol-1-yl)phenoxy]methyl]-1,3-oxazole;2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-4-[[6-(triazol-1-yl)-3-pyridinyl]oxymethyl]-1,3-thiazole;4-[[2-fluoro-4-(triazol-1-yl)phenoxy]methyl]-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]-1,3-thiazole;4-[[6-(triazol-1-yl)-3-pyridinyl]oxymethyl]-2-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]-1,3-thiazole with MolForge

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Launch Full Analysis

Related Compounds

2-[1-(5-Chloropyrimidin-2-yl)piperidin-4-yl]-4-[[2-fluoro-4-(triazol-1-yl)phenoxy]methyl]-1,3-thiazole;2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]-4-[[6-(triazol-1-yl)-3-pyridinyl]oxymethyl]-1,3-thiazole;2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-4-[[6-(triazol-1-yl)-3-pyridinyl]oxymethyl]-1,3-thiazole;4-[[6-(triazol-1-yl)-3-pyridinyl]oxymethyl]-2-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]-1,3-thiazole
CID 157423578
2-[1-(5-Chloropyrimidin-2-yl)piperidin-4-yl]-4-[[2-fluoro-4-(triazol-1-yl)phenoxy]methyl]-1,3-thiazole;2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]-4-[[6-(triazol-1-yl)-3-pyridinyl]oxymethyl]-1,3-thiazole;2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-4-[[6-(triazol-1-yl)-3-pyridinyl]oxymethyl]-1,3-thiazole;4-[[2-fluoro-4-(triazol-1-yl)phenoxy]methyl]-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]-1,3-thiazole;4-[[6-(triazol-1-yl)-3-pyridinyl]oxymethyl]-2-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]-1,3-thiazole
CID 161571940
2-chloro-5-methyl-3-propan-2-ylpyridine;2-chloro-5-methyl-3-propan-2-ylthiophene;2,6-dichloro-3-propan-2-ylpyridine;2,6-difluoro-3-propan-2-ylpyridine;2,5-dimethyl-4-propan-2-yl-1,3-oxazole;2,3-dimethyl-4-propan-2-ylpyridine;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;2-ethyl-4-propan-2-ylpyridine;4-ethynyl-2-propan-2-ylthiophene;2-fluoro-3-methyl-5-propan-2-ylpyridine;2-fluoro-3-propan-2-ylpyridine;2-methoxy-3-propan-2-ylpyridine;1-methyl-4-propan-2-ylimidazole;1-methyl-3-propan-2-ylpyrazole;2-methyl-3-propan-2-ylpyridine;bis(4-methyl-5-propan-2-yl-1,3-thiazole);3-methyl-2-propan-2-ylthiophene;1-methyl-4-propan-2-yltriazole;4-propan-2-yl-3,6-dihydro-2H-pyran;3-propan-2-yl-2-propan-2-yloxypyridine;3-propan-2-yl-5-(1-pyrrolidin-1-ylethenyl)pyridine;4-(4-propan-2-yl-1,3-thiazol-2-yl)morpholine;2-propan-2-yl-5-(trifluoromethyl)thiophene
CID 167611564
2-[1-(5-Ethylpyrimidin-2-yl)piperidin-4-yl]-4-[(2-fluoro-4-methylsulfonylphenoxy)methyl]-1,3-thiazole;2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-4-[[2-fluoro-4-(triazol-1-yl)phenoxy]methyl]-1,3-oxazole;2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-4-[[2-fluoro-4-(triazol-1-yl)phenoxy]methyl]-1,3-thiazole;2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-4-[[4-(triazol-1-yl)phenoxy]methyl]-1,3-thiazole;4-[[2-fluoro-4-(triazol-1-yl)phenoxy]methyl]-2-[1-(5-propan-2-ylpyrimidin-2-yl)piperidin-4-yl]-1,3-thiazole;propan-2-yl 4-[4-[(2-fluoro-4-methylsulfonylphenoxy)methyl]-1,3-thiazol-2-yl]piperidine-1-carboxylate;3-propan-2-yl-5-[4-[4-[[4-(triazol-1-yl)phenoxy]methyl]-1,3-thiazol-2-yl]piperidin-1-yl]-1,2,4-oxadiazole
CID 159735650
2-[1-(5-Ethylpyrimidin-2-yl)piperidin-4-yl]-4-[(2-fluoro-4-methylsulfonylphenoxy)methyl]-1,3-thiazole;2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-4-[[2-fluoro-4-(triazol-1-yl)phenoxy]methyl]-1,3-oxazole;2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-4-[[2-fluoro-4-(triazol-1-yl)phenoxy]methyl]-1,3-thiazole;2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-4-[[4-(triazol-1-yl)phenoxy]methyl]-1,3-thiazole;4-[[2-fluoro-4-(triazol-1-yl)phenoxy]methyl]-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]-1,3-thiazole;4-[[2-fluoro-4-(triazol-1-yl)phenoxy]methyl]-2-[1-(5-propan-2-ylpyrimidin-2-yl)piperidin-4-yl]-1,3-thiazole;propan-2-yl 4-[4-[(2-fluoro-4-methylsulfonylphenoxy)methyl]-1,3-thiazol-2-yl]piperidine-1-carboxylate;3-propan-2-yl-5-[4-[4-[[4-(triazol-1-yl)phenoxy]methyl]-1,3-thiazol-2-yl]piperidin-1-yl]-1,2,4-oxadiazole
CID 162117778

Frequently Asked Questions

What is the IUPAC name of 2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]-4-[[4-fluoro-6-(triazol-1-yl)-3-pyridinyl]oxymethyl]-1,3-thiazole;2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]-4-[[6-(triazol-1-yl)-3-pyridinyl]oxymethyl]-1,3-thiazole;2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-4-[[2-fluoro-4-(triazol-1-yl)phenoxy]methyl]-1,3-oxazole;2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-4-[[6-(triazol-1-yl)-3-pyridinyl]oxymethyl]-1,3-thiazole;4-[[2-fluoro-4-(triazol-1-yl)phenoxy]methyl]-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]-1,3-thiazole;4-[[6-(triazol-1-yl)-3-pyridinyl]oxymethyl]-2-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]-1,3-thiazole?
The IUPAC name of 2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]-4-[[4-fluoro-6-(triazol-1-yl)-3-pyridinyl]oxymethyl]-1,3-thiazole;2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]-4-[[6-(triazol-1-yl)-3-pyridinyl]oxymethyl]-1,3-thiazole;2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-4-[[2-fluoro-4-(triazol-1-yl)phenoxy]methyl]-1,3-oxazole;2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-4-[[6-(triazol-1-yl)-3-pyridinyl]oxymethyl]-1,3-thiazole;4-[[2-fluoro-4-(triazol-1-yl)phenoxy]methyl]-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]-1,3-thiazole;4-[[6-(triazol-1-yl)-3-pyridinyl]oxymethyl]-2-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]-1,3-thiazole (CID 159627438) is 2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]-4-[[4-fluoro-6-(triazol-1-yl)-3-pyridinyl]oxymethyl]-1,3-thiazole;2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]-4-[[6-(triazol-1-yl)-3-pyridinyl]oxymethyl]-1,3-thiazole;2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-4-[[2-fluoro-4-(triazol-1-yl)phenoxy]methyl]-1,3-oxazole;2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-4-[[6-(triazol-1-yl)-3-pyridinyl]oxymethyl]-1,3-thiazole;4-[[2-fluoro-4-(triazol-1-yl)phenoxy]methyl]-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]-1,3-thiazole;4-[[6-(triazol-1-yl)-3-pyridinyl]oxymethyl]-2-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]-1,3-thiazole.
What is the SMILES notation for 2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]-4-[[4-fluoro-6-(triazol-1-yl)-3-pyridinyl]oxymethyl]-1,3-thiazole;2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]-4-[[6-(triazol-1-yl)-3-pyridinyl]oxymethyl]-1,3-thiazole;2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-4-[[2-fluoro-4-(triazol-1-yl)phenoxy]methyl]-1,3-oxazole;2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-4-[[6-(triazol-1-yl)-3-pyridinyl]oxymethyl]-1,3-thiazole;4-[[2-fluoro-4-(triazol-1-yl)phenoxy]methyl]-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]-1,3-thiazole;4-[[6-(triazol-1-yl)-3-pyridinyl]oxymethyl]-2-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]-1,3-thiazole?
The canonical SMILES for 2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]-4-[[4-fluoro-6-(triazol-1-yl)-3-pyridinyl]oxymethyl]-1,3-thiazole;2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]-4-[[6-(triazol-1-yl)-3-pyridinyl]oxymethyl]-1,3-thiazole;2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-4-[[2-fluoro-4-(triazol-1-yl)phenoxy]methyl]-1,3-oxazole;2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-4-[[6-(triazol-1-yl)-3-pyridinyl]oxymethyl]-1,3-thiazole;4-[[2-fluoro-4-(triazol-1-yl)phenoxy]methyl]-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]-1,3-thiazole;4-[[6-(triazol-1-yl)-3-pyridinyl]oxymethyl]-2-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]-1,3-thiazole is CCc1cnc(N2CCC(c3nc(COc4ccc(-n5ccnn5)cc4F)co3)CC2)nc1.CCc1cnc(N2CCC(c3nc(COc4ccc(-n5ccnn5)nc4)cs3)CC2)nc1.Cc1cnc(N2CCC(c3nc(COc4ccc(-n5ccnn5)cc4F)cs3)CC2)nc1.Clc1cnc(N2CCC(c3nc(COc4ccc(-n5ccnn5)nc4)cs3)CC2)nc1.FC(F)(F)c1cnc(N2CCC(c3nc(COc4ccc(-n5ccnn5)nc4)cs3)CC2)nc1.Fc1cc(-n2ccnn2)ncc1OCc1csc(C2CCN(c3ncc(Cl)cn3)CC2)n1.
What is the InChIKey of 2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]-4-[[4-fluoro-6-(triazol-1-yl)-3-pyridinyl]oxymethyl]-1,3-thiazole;2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]-4-[[6-(triazol-1-yl)-3-pyridinyl]oxymethyl]-1,3-thiazole;2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-4-[[2-fluoro-4-(triazol-1-yl)phenoxy]methyl]-1,3-oxazole;2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-4-[[6-(triazol-1-yl)-3-pyridinyl]oxymethyl]-1,3-thiazole;4-[[2-fluoro-4-(triazol-1-yl)phenoxy]methyl]-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]-1,3-thiazole;4-[[6-(triazol-1-yl)-3-pyridinyl]oxymethyl]-2-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]-1,3-thiazole?
The InChIKey is MORJIQRXAPEUSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN7O2.C22H22FN7OS.C22H24N8OS.C21H19F3N8OS.C20H18ClFN8OS.C20H19ClN8OS/c1-2-16-12-25-23(26-13-16)30-8-5-17(6-9-30)22-28-18(15-33-22)14-32-21-4-3-19(11-20(21)24)31-10-7-27-29-31;1-15-11-24-22(25-12-15)29-7-4-16(5-8-29)21-27-17(14-32-21)13-31-20-3-2-18(10-19(20)23)30-9-6-26-28-30;1-2-16-11-24-22(25-12-16)29-8-5-17(6-9-29)21-27-18(15-32-21)14-31-19-3-4-20(23-13-19)30-10-7-26-28-30;22-21(23,24)15-9-26-20(27-10-15)31-6-3-14(4-7-31)19-29-16(13-34-19)12-33-17-1-2-18(25-11-17)32-8-5-28-30-32;21-14-8-24-20(25-9-14)29-4-1-13(2-5-29)19-27-15(12-32-19)11-31-17-10-23-18(7-16(17)22)30-6-3-26-28-30;21-15-9-23-20(24-10-15)28-6-3-14(4-7-28)19-26-16(13-31-19)12-30-17-1-2-18(22-11-17)29-8-5-25-27-29/h3-4,7,10-13,15,17H,2,5-6,8-9,14H2,1H3;2-3,6,9-12,14,16H,4-5,7-8,13H2,1H3;3-4,7,10-13,15,17H,2,5-6,8-9,14H2,1H3;1-2,5,8-11,13-14H,3-4,6-7,12H2;3,6-10,12-13H,1-2,4-5,11H2;1-2,5,8-11,13-14H,3-4,6-7,12H2.
What are the key properties of 2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]-4-[[4-fluoro-6-(triazol-1-yl)-3-pyridinyl]oxymethyl]-1,3-thiazole;2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]-4-[[6-(triazol-1-yl)-3-pyridinyl]oxymethyl]-1,3-thiazole;2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-4-[[2-fluoro-4-(triazol-1-yl)phenoxy]methyl]-1,3-oxazole;2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-4-[[6-(triazol-1-yl)-3-pyridinyl]oxymethyl]-1,3-thiazole;4-[[2-fluoro-4-(triazol-1-yl)phenoxy]methyl]-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]-1,3-thiazole;4-[[6-(triazol-1-yl)-3-pyridinyl]oxymethyl]-2-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]-1,3-thiazole?
2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]-4-[[4-fluoro-6-(triazol-1-yl)-3-pyridinyl]oxymethyl]-1,3-thiazole;2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]-4-[[6-(triazol-1-yl)-3-pyridinyl]oxymethyl]-1,3-thiazole;2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-4-[[2-fluoro-4-(triazol-1-yl)phenoxy]methyl]-1,3-oxazole;2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-4-[[6-(triazol-1-yl)-3-pyridinyl]oxymethyl]-1,3-thiazole;4-[[2-fluoro-4-(triazol-1-yl)phenoxy]methyl]-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]-1,3-thiazole;4-[[6-(triazol-1-yl)-3-pyridinyl]oxymethyl]-2-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]-1,3-thiazole has a molecular weight of 2765.96 g/mol, XLogP of 22.15, 38 rotatable bonds, 0 hydrogen bond donors, and 58 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]-4-[[4-fluoro-6-(triazol-1-yl)-3-pyridinyl]oxymethyl]-1,3-thiazole;2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]-4-[[6-(triazol-1-yl)-3-pyridinyl]oxymethyl]-1,3-thiazole;2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-4-[[2-fluoro-4-(triazol-1-yl)phenoxy]methyl]-1,3-oxazole;2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-4-[[6-(triazol-1-yl)-3-pyridinyl]oxymethyl]-1,3-thiazole;4-[[2-fluoro-4-(triazol-1-yl)phenoxy]methyl]-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]-1,3-thiazole;4-[[6-(triazol-1-yl)-3-pyridinyl]oxymethyl]-2-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]-1,3-thiazole is sourced from PubChem (CID 159627438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).