2-[(3S,4S)-4-[1-butyl-3-(3,4,5-trifluorophenyl)pyrazol-5-yl]oxy-3-methylpiperidin-1-yl]-5-(trifluoromethyl)pyridine;2-[(3S,4S)-4-[3-(3,5-difluorophenyl)-1-pyridin-2-ylpyrazol-5-yl]oxy-3-methylpiperidin-1-yl]-5-(trifluoromethyl)pyridine;2-[4-[1-(ethoxymethyl)-3-(trifluoromethyl)pyrazol-5-yl]oxypiperidin-1-yl]-5-(trifluoromethyl)pyridine;2-[(3S,4S)-3-methyl-4-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]oxypiperidin-1-yl]-5-(trifluoromethyl)pyridine;2-[(3S,4S)-3-methyl-4-[1-pyridin-2-yl-3-(trifluoromethyl)pyrazol-5-yl]oxypiperidin-1-yl]-5-(trifluoromethyl)pyridine

C112H107F29N22O6 — CID 162081448

IUPAC2-[(3S,4S)-4-[1-butyl-3-(3,4,5-trifluorophenyl)pyrazol-5-yl]oxy-3-methylpiperidin-1-yl]-5-(trifluoromethyl)pyridine;2-[(3S,4S)-4-[3-(3,5-difluorophenyl)-1-pyridin-2-ylpyrazol-5-yl]oxy-3-methylpiperidin-1-yl]-5-(trifluoromethyl)pyridine;2-[4-[1-(ethoxymethyl)-3-(trifluoromethyl)pyrazol-5-yl]oxypiperidin-1-yl]-5-(trifluoromethyl)pyridine;2-[(3S,4S)-3-methyl-4-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]oxypiperidin-1-yl]-5-(trifluoromethyl)pyridine;2-[(3S,4S)-3-methyl-4-[1-pyridin-2-yl-3-(trifluoromethyl)pyrazol-5-yl]oxypiperidin-1-yl]-5-(trifluoromethyl)pyridine
SMILESCCCCn1nc(-c2cc(F)c(F)c(F)c2)cc1O[C@H]1CCN(c2ccc(C(F)(F)F)cn2)C[C@@H]1C.CCOCn1nc(C(F)(F)F)cc1OC1CCN(c2ccc(C(F)(F)F)cn2)CC1.C[C@H]1CN(c2ccc(C(F)(F)F)cn2)CC[C@@H]1Oc1cc(-c2cc(F)cc(F)c2)nn1-c1ccccn1.C[C@H]1CN(c2ccc(C(F)(F)F)cn2)CC[C@@H]1Oc1cc(C(F)(F)F)nn1-c1ccccc1.C[C@H]1CN(c2ccc(C(F)(F)F)cn2)CC[C@@H]1Oc1cc(C(F)(F)F)nn1-c1ccccn1
InChIInChI=1S/C26H22F5N5O.C25H26F6N4O.C22H20F6N4O.C21H19F6N5O.C18H20F6N4O2/c1-16-15-35(23-6-5-18(14-33-23)26(29,30)31)9-7-22(16)37-25-13-21(17-10-19(27)12-20(28)11-17)34-36(25)24-4-2-3-8-32-24;1-3-4-8-35-23(12-20(33-35)16-10-18(26)24(28)19(27)11-16)36-21-7-9-34(14-15(21)2)22-6-5-17(13-32-22)25(29,30)31;1-14-13-31(19-8-7-15(12-29-19)21(23,24)25)10-9-17(14)33-20-11-18(22(26,27)28)30-32(20)16-5-3-2-4-6-16;1-13-12-31(17-6-5-14(11-29-17)20(22,23)24)9-7-15(13)33-19-10-16(21(25,26)27)30-32(19)18-4-2-3-8-28-18;1-2-29-11-28-16(9-14(26-28)18(22,23)24)30-13-5-7-27(8-6-13)15-4-3-12(10-25-15)17(19,20)21/h2-6,8,10-14,16,22H,7,9,15H2,1H3;5-6,10-13,15,21H,3-4,7-9,14H2,1-2H3;2-8,11-12,14,17H,9-10,13H2,1H3;2-6,8,10-11,13,15H,7,9,12H2,1H3;3-4,9-10,13H,2,5-8,11H2,1H3/t16-,22-;15-,21-;14-,17-;13-,15-;/m0000./s1
InChIKeyZCJXPGQLBOKGEA-AFYOJZIBSA-N
MW2408.18 g/mol
LogP27.35
Rot. Bonds26

About 2-[(3S,4S)-4-[1-butyl-3-(3,4,5-trifluorophenyl)pyrazol-5-yl]oxy-3-methylpiperidin-1-yl]-5-(trifluoromethyl)pyridine;2-[(3S,4S)-4-[3-(3,5-difluorophenyl)-1-pyridin-2-ylpyrazol-5-yl]oxy-3-methylpiperidin-1-yl]-5-(trifluoromethyl)pyridine;2-[4-[1-(ethoxymethyl)-3-(trifluoromethyl)pyrazol-5-yl]oxypiperidin-1-yl]-5-(trifluoromethyl)pyridine;2-[(3S,4S)-3-methyl-4-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]oxypiperidin-1-yl]-5-(trifluoromethyl)pyridine;2-[(3S,4S)-3-methyl-4-[1-pyridin-2-yl-3-(trifluoromethyl)pyrazol-5-yl]oxypiperidin-1-yl]-5-(trifluoromethyl)pyridine

2-[(3S,4S)-4-[1-butyl-3-(3,4,5-trifluorophenyl)pyrazol-5-yl]oxy-3-methylpiperidin-1-yl]-5-(trifluoromethyl)pyridine;2-[(3S,4S)-4-[3-(3,5-difluorophenyl)-1-pyridin-2-ylpyrazol-5-yl]oxy-3-methylpiperidin-1-yl]-5-(trifluoromethyl)pyridine;2-[4-[1-(ethoxymethyl)-3-(trifluoromethyl)pyrazol-5-yl]oxypiperidin-1-yl]-5-(trifluoromethyl)pyridine;2-[(3S,4S)-3-methyl-4-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]oxypiperidin-1-yl]-5-(trifluoromethyl)pyridine;2-[(3S,4S)-3-methyl-4-[1-pyridin-2-yl-3-(trifluoromethyl)pyrazol-5-yl]oxypiperidin-1-yl]-5-(trifluoromethyl)pyridine (PubChem CID 162081448) has the molecular formula C112H107F29N22O6 and a molecular weight of 2408.18 g/mol. Its IUPAC name is 2-[(3S,4S)-4-[1-butyl-3-(3,4,5-trifluorophenyl)pyrazol-5-yl]oxy-3-methylpiperidin-1-yl]-5-(trifluoromethyl)pyridine;2-[(3S,4S)-4-[3-(3,5-difluorophenyl)-1-pyridin-2-ylpyrazol-5-yl]oxy-3-methylpiperidin-1-yl]-5-(trifluoromethyl)pyridine;2-[4-[1-(ethoxymethyl)-3-(trifluoromethyl)pyrazol-5-yl]oxypiperidin-1-yl]-5-(trifluoromethyl)pyridine;2-[(3S,4S)-3-methyl-4-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]oxypiperidin-1-yl]-5-(trifluoromethyl)pyridine;2-[(3S,4S)-3-methyl-4-[1-pyridin-2-yl-3-(trifluoromethyl)pyrazol-5-yl]oxypiperidin-1-yl]-5-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-[(3S,4S)-4-[1-butyl-3-(3,4,5-trifluorophenyl)pyrazol-5-yl]oxy-3-methylpiperidin-1-yl]-5-(trifluoromethyl)pyridine;2-[(3S,4S)-4-[3-(3,5-difluorophenyl)-1-pyridin-2-ylpyrazol-5-yl]oxy-3-methylpiperidin-1-yl]-5-(trifluoromethyl)pyridine;2-[4-[1-(ethoxymethyl)-3-(trifluoromethyl)pyrazol-5-yl]oxypiperidin-1-yl]-5-(trifluoromethyl)pyridine;2-[(3S,4S)-3-methyl-4-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]oxypiperidin-1-yl]-5-(trifluoromethyl)pyridine;2-[(3S,4S)-3-methyl-4-[1-pyridin-2-yl-3-(trifluoromethyl)pyrazol-5-yl]oxypiperidin-1-yl]-5-(trifluoromethyl)pyridine
PubChem CID162081448
Molecular FormulaC112H107F29N22O6
Molecular Weight2408.18 g/mol
Exact Mass2406.83
IUPAC Name2-[(3S,4S)-4-[1-butyl-3-(3,4,5-trifluorophenyl)pyrazol-5-yl]oxy-3-methylpiperidin-1-yl]-5-(trifluoromethyl)pyridine;2-[(3S,4S)-4-[3-(3,5-difluorophenyl)-1-pyridin-2-ylpyrazol-5-yl]oxy-3-methylpiperidin-1-yl]-5-(trifluoromethyl)pyridine;2-[4-[1-(ethoxymethyl)-3-(trifluoromethyl)pyrazol-5-yl]oxypiperidin-1-yl]-5-(trifluoromethyl)pyridine;2-[(3S,4S)-3-methyl-4-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]oxypiperidin-1-yl]-5-(trifluoromethyl)pyridine;2-[(3S,4S)-3-methyl-4-[1-pyridin-2-yl-3-(trifluoromethyl)pyrazol-5-yl]oxypiperidin-1-yl]-5-(trifluoromethyl)pyridine
SMILESCCCCn1nc(-c2cc(F)c(F)c(F)c2)cc1O[C@H]1CCN(c2ccc(C(F)(F)F)cn2)C[C@@H]1C.CCOCn1nc(C(F)(F)F)cc1OC1CCN(c2ccc(C(F)(F)F)cn2)CC1.C[C@H]1CN(c2ccc(C(F)(F)F)cn2)CC[C@@H]1Oc1cc(-c2cc(F)cc(F)c2)nn1-c1ccccn1.C[C@H]1CN(c2ccc(C(F)(F)F)cn2)CC[C@@H]1Oc1cc(C(F)(F)F)nn1-c1ccccc1.C[C@H]1CN(c2ccc(C(F)(F)F)cn2)CC[C@@H]1Oc1cc(C(F)(F)F)nn1-c1ccccn1
InChIInChI=1S/C26H22F5N5O.C25H26F6N4O.C22H20F6N4O.C21H19F6N5O.C18H20F6N4O2/c1-16-15-35(23-6-5-18(14-33-23)26(29,30)31)9-7-22(16)37-25-13-21(17-10-19(27)12-20(28)11-17)34-36(25)24-4-2-3-8-32-24;1-3-4-8-35-23(12-20(33-35)16-10-18(26)24(28)19(27)11-16)36-21-7-9-34(14-15(21)2)22-6-5-17(13-32-22)25(29,30)31;1-14-13-31(19-8-7-15(12-29-19)21(23,24)25)10-9-17(14)33-20-11-18(22(26,27)28)30-32(20)16-5-3-2-4-6-16;1-13-12-31(17-6-5-14(11-29-17)20(22,23)24)9-7-15(13)33-19-10-16(21(25,26)27)30-32(19)18-4-2-3-8-28-18;1-2-29-11-28-16(9-14(26-28)18(22,23)24)30-13-5-7-27(8-6-13)15-4-3-12(10-25-15)17(19,20)21/h2-6,8,10-14,16,22H,7,9,15H2,1H3;5-6,10-13,15,21H,3-4,7-9,14H2,1-2H3;2-8,11-12,14,17H,9-10,13H2,1H3;2-6,8,10-11,13,15H,7,9,12H2,1H3;3-4,9-10,13H,2,5-8,11H2,1H3/t16-,22-;15-,21-;14-,17-;13-,15-;/m0000./s1
InChIKeyZCJXPGQLBOKGEA-AFYOJZIBSA-N
XLogP27.35
TPSA250.91 Ų
H-Bond Donors
H-Bond Acceptors28
Rotatable Bonds26
Heavy Atoms169
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002408.18
LogP ≤ 527.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1028

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze 2-[(3S,4S)-4-[1-butyl-3-(3,4,5-trifluorophenyl)pyrazol-5-yl]oxy-3-methylpiperidin-1-yl]-5-(trifluoromethyl)pyridine;2-[(3S,4S)-4-[3-(3,5-difluorophenyl)-1-pyridin-2-ylpyrazol-5-yl]oxy-3-methylpiperidin-1-yl]-5-(trifluoromethyl)pyridine;2-[4-[1-(ethoxymethyl)-3-(trifluoromethyl)pyrazol-5-yl]oxypiperidin-1-yl]-5-(trifluoromethyl)pyridine;2-[(3S,4S)-3-methyl-4-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]oxypiperidin-1-yl]-5-(trifluoromethyl)pyridine;2-[(3S,4S)-3-methyl-4-[1-pyridin-2-yl-3-(trifluoromethyl)pyrazol-5-yl]oxypiperidin-1-yl]-5-(trifluoromethyl)pyridine with MolForge

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Related Compounds

2-[(3S,4S)-4-[5-(3,5-difluorophenyl)-2-pyridin-2-ylpyrazol-3-yl]oxy-3-methylpiperidin-1-yl]-5-(trifluoromethyl)pyridine
CID 71495496
2-[(3S,4S)-4-[2-butyl-5-(3,4,5-trifluorophenyl)pyrazol-3-yl]oxy-3-methylpiperidin-1-yl]-5-(trifluoromethyl)pyridine
CID 71495497
3-Cyclopropyl-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;6-[6-(3,3-difluorocyclobutyl)oxy-5-fluoro-3-pyridinyl]-3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[5-fluoro-6-(trifluoromethyl)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-[difluoro(methoxy)methyl]-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 157049633
N-(3,5-difluorophenyl)-8-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-(3,5-difluorophenyl)-8-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-(3-fluorophenyl)-8-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;8-(3-methoxyphenyl)-N-(2-methyl-4-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;8-(3-methoxyphenyl)-N-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine;8-(3-methoxyphenyl)-N-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 157068880
CID 157070759
CID 157070759
1,3-dimethyl-4-propan-2-ylpyrazole;1,5-dimethyl-4-propan-2-ylpyrazole;1,4-di(propan-2-yl)pyrazole;2-(3-fluoro-3-methylpyrrolidin-1-yl)-4-propan-2-ylpyridine;2-fluoro-4-propan-2-ylpyridine;3-methoxy-5-propan-2-ylpyridine;2-methyl-4-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;4-methyl-3-propan-2-ylpyridine;2-[(3R)-3-methylpyrrolidin-1-yl]-4-propan-2-ylpyridine;2-[(3S)-3-methylpyrrolidin-1-yl]-4-propan-2-ylpyridine;4-propan-2-yl-2-(trifluoromethyl)pyridine;4-propan-2-yl-2-[3-(trifluoromethyl)pyrrolidin-1-yl]pyridine
CID 157184423
2-[(2,6-difluorophenyl)methoxy]-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridine;N-[(2,6-difluorophenyl)methyl]-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridin-2-amine;N-[(2,6-difluorophenyl)methyl]-5-[1-methyl-4-(trifluoromethyl)pyrrol-2-yl]pyrazin-2-amine;N-[(2,6-difluorophenyl)methyl]-5-[1-methyl-4-(trifluoromethyl)pyrrol-2-yl]pyridin-2-amine;N-[(2-fluorophenyl)methyl]-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridin-2-amine
CID 157296911
3-cyclopropyl-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;6-[6-(3,3-difluorocyclobutyl)oxy-5-fluoro-3-pyridinyl]-3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-[difluoro(methoxy)methyl]-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-[(1S)-2-fluoro-2-methylcyclopropyl]-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;sulfane
CID 157634121
CID 157851571
CID 157851571
7-[[4-[3-(1-acetylpiperidin-4-yl)pyrazol-1-yl]phenyl]methyl]-2-(3-fluoro-2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[3-(1-acetylpiperidin-4-yl)pyrazol-1-yl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[3-(1-acetylpiperidin-4-yl)pyrazol-1-yl]phenyl]methyl]-2-(2-propan-2-yl-3-pyridinyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[3-(1-acetylpiperidin-4-yl)pyrazol-1-yl]phenyl]methyl]-2-[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[3-(1-acetylpyrrolidin-3-yl)pyrazol-1-yl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 157896789
2-[(2,6-difluorophenyl)methoxy]-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridine;N-[(2,6-difluorophenyl)methyl]-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridin-2-amine;N-[(2,6-difluorophenyl)methyl]-5-[1-methyl-4-(trifluoromethyl)pyrrol-2-yl]pyrazin-2-amine;N-[(2,6-difluorophenyl)methyl]-5-[1-methyl-4-(trifluoromethyl)pyrrol-2-yl]pyridin-2-amine;N-[(2-fluorophenyl)methyl]-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridin-2-amine;methane
CID 158124834
2-tert-butyl-4-methoxypyridine;2-tert-butyl-3-methylpyridine;2-tert-butyl-6-methylpyridine;2-tert-butylpyridine;3-tert-butylpyridine;2-tert-butyl-4-(trifluoromethyl)pyridine;2-tert-butyl-6-(trifluoromethyl)pyridine;3-tert-butyl-5-(trifluoromethyl)pyridine;4-tert-butyl-2-(trifluoromethyl)pyridine;2-tert-butyl-4-(trifluoromethyl)pyrimidine;3-chloro-2-(2,2-dimethylpropyl)pyridine;2-(3,3-dimethylbutan-2-yl)pyridine;3-(3,3-dimethylbutan-2-yl)pyridine;5-(2,2-dimethylpropyl)-1,3-dimethylpyrazole;3-(2,2-dimethylpropyl)-N,N-dimethylpyridin-2-amine;2-(2,2-dimethylpropyl)-3-fluoropyridine;5-(2,2-dimethylpropyl)-1-methyl-3-phenylpyrazole;5-(2,2-dimethylpropyl)-1-methylpyrazole;2-(2,2-dimethylpropyl)-3-methylpyridine;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;4-(2,2-dimethylpropyl)pyridine;1-methyl-5-propan-2-ylpyrazole;3-propan-2-yl-2H-pyrrole
CID 158328873

Frequently Asked Questions

What is the IUPAC name of 2-[(3S,4S)-4-[1-butyl-3-(3,4,5-trifluorophenyl)pyrazol-5-yl]oxy-3-methylpiperidin-1-yl]-5-(trifluoromethyl)pyridine;2-[(3S,4S)-4-[3-(3,5-difluorophenyl)-1-pyridin-2-ylpyrazol-5-yl]oxy-3-methylpiperidin-1-yl]-5-(trifluoromethyl)pyridine;2-[4-[1-(ethoxymethyl)-3-(trifluoromethyl)pyrazol-5-yl]oxypiperidin-1-yl]-5-(trifluoromethyl)pyridine;2-[(3S,4S)-3-methyl-4-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]oxypiperidin-1-yl]-5-(trifluoromethyl)pyridine;2-[(3S,4S)-3-methyl-4-[1-pyridin-2-yl-3-(trifluoromethyl)pyrazol-5-yl]oxypiperidin-1-yl]-5-(trifluoromethyl)pyridine?
The IUPAC name of 2-[(3S,4S)-4-[1-butyl-3-(3,4,5-trifluorophenyl)pyrazol-5-yl]oxy-3-methylpiperidin-1-yl]-5-(trifluoromethyl)pyridine;2-[(3S,4S)-4-[3-(3,5-difluorophenyl)-1-pyridin-2-ylpyrazol-5-yl]oxy-3-methylpiperidin-1-yl]-5-(trifluoromethyl)pyridine;2-[4-[1-(ethoxymethyl)-3-(trifluoromethyl)pyrazol-5-yl]oxypiperidin-1-yl]-5-(trifluoromethyl)pyridine;2-[(3S,4S)-3-methyl-4-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]oxypiperidin-1-yl]-5-(trifluoromethyl)pyridine;2-[(3S,4S)-3-methyl-4-[1-pyridin-2-yl-3-(trifluoromethyl)pyrazol-5-yl]oxypiperidin-1-yl]-5-(trifluoromethyl)pyridine (CID 162081448) is 2-[(3S,4S)-4-[1-butyl-3-(3,4,5-trifluorophenyl)pyrazol-5-yl]oxy-3-methylpiperidin-1-yl]-5-(trifluoromethyl)pyridine;2-[(3S,4S)-4-[3-(3,5-difluorophenyl)-1-pyridin-2-ylpyrazol-5-yl]oxy-3-methylpiperidin-1-yl]-5-(trifluoromethyl)pyridine;2-[4-[1-(ethoxymethyl)-3-(trifluoromethyl)pyrazol-5-yl]oxypiperidin-1-yl]-5-(trifluoromethyl)pyridine;2-[(3S,4S)-3-methyl-4-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]oxypiperidin-1-yl]-5-(trifluoromethyl)pyridine;2-[(3S,4S)-3-methyl-4-[1-pyridin-2-yl-3-(trifluoromethyl)pyrazol-5-yl]oxypiperidin-1-yl]-5-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-[(3S,4S)-4-[1-butyl-3-(3,4,5-trifluorophenyl)pyrazol-5-yl]oxy-3-methylpiperidin-1-yl]-5-(trifluoromethyl)pyridine;2-[(3S,4S)-4-[3-(3,5-difluorophenyl)-1-pyridin-2-ylpyrazol-5-yl]oxy-3-methylpiperidin-1-yl]-5-(trifluoromethyl)pyridine;2-[4-[1-(ethoxymethyl)-3-(trifluoromethyl)pyrazol-5-yl]oxypiperidin-1-yl]-5-(trifluoromethyl)pyridine;2-[(3S,4S)-3-methyl-4-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]oxypiperidin-1-yl]-5-(trifluoromethyl)pyridine;2-[(3S,4S)-3-methyl-4-[1-pyridin-2-yl-3-(trifluoromethyl)pyrazol-5-yl]oxypiperidin-1-yl]-5-(trifluoromethyl)pyridine?
The canonical SMILES for 2-[(3S,4S)-4-[1-butyl-3-(3,4,5-trifluorophenyl)pyrazol-5-yl]oxy-3-methylpiperidin-1-yl]-5-(trifluoromethyl)pyridine;2-[(3S,4S)-4-[3-(3,5-difluorophenyl)-1-pyridin-2-ylpyrazol-5-yl]oxy-3-methylpiperidin-1-yl]-5-(trifluoromethyl)pyridine;2-[4-[1-(ethoxymethyl)-3-(trifluoromethyl)pyrazol-5-yl]oxypiperidin-1-yl]-5-(trifluoromethyl)pyridine;2-[(3S,4S)-3-methyl-4-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]oxypiperidin-1-yl]-5-(trifluoromethyl)pyridine;2-[(3S,4S)-3-methyl-4-[1-pyridin-2-yl-3-(trifluoromethyl)pyrazol-5-yl]oxypiperidin-1-yl]-5-(trifluoromethyl)pyridine is CCCCn1nc(-c2cc(F)c(F)c(F)c2)cc1O[C@H]1CCN(c2ccc(C(F)(F)F)cn2)C[C@@H]1C.CCOCn1nc(C(F)(F)F)cc1OC1CCN(c2ccc(C(F)(F)F)cn2)CC1.C[C@H]1CN(c2ccc(C(F)(F)F)cn2)CC[C@@H]1Oc1cc(-c2cc(F)cc(F)c2)nn1-c1ccccn1.C[C@H]1CN(c2ccc(C(F)(F)F)cn2)CC[C@@H]1Oc1cc(C(F)(F)F)nn1-c1ccccc1.C[C@H]1CN(c2ccc(C(F)(F)F)cn2)CC[C@@H]1Oc1cc(C(F)(F)F)nn1-c1ccccn1.
What is the InChIKey of 2-[(3S,4S)-4-[1-butyl-3-(3,4,5-trifluorophenyl)pyrazol-5-yl]oxy-3-methylpiperidin-1-yl]-5-(trifluoromethyl)pyridine;2-[(3S,4S)-4-[3-(3,5-difluorophenyl)-1-pyridin-2-ylpyrazol-5-yl]oxy-3-methylpiperidin-1-yl]-5-(trifluoromethyl)pyridine;2-[4-[1-(ethoxymethyl)-3-(trifluoromethyl)pyrazol-5-yl]oxypiperidin-1-yl]-5-(trifluoromethyl)pyridine;2-[(3S,4S)-3-methyl-4-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]oxypiperidin-1-yl]-5-(trifluoromethyl)pyridine;2-[(3S,4S)-3-methyl-4-[1-pyridin-2-yl-3-(trifluoromethyl)pyrazol-5-yl]oxypiperidin-1-yl]-5-(trifluoromethyl)pyridine?
The InChIKey is ZCJXPGQLBOKGEA-AFYOJZIBSA-N. The full InChI is InChI=1S/C26H22F5N5O.C25H26F6N4O.C22H20F6N4O.C21H19F6N5O.C18H20F6N4O2/c1-16-15-35(23-6-5-18(14-33-23)26(29,30)31)9-7-22(16)37-25-13-21(17-10-19(27)12-20(28)11-17)34-36(25)24-4-2-3-8-32-24;1-3-4-8-35-23(12-20(33-35)16-10-18(26)24(28)19(27)11-16)36-21-7-9-34(14-15(21)2)22-6-5-17(13-32-22)25(29,30)31;1-14-13-31(19-8-7-15(12-29-19)21(23,24)25)10-9-17(14)33-20-11-18(22(26,27)28)30-32(20)16-5-3-2-4-6-16;1-13-12-31(17-6-5-14(11-29-17)20(22,23)24)9-7-15(13)33-19-10-16(21(25,26)27)30-32(19)18-4-2-3-8-28-18;1-2-29-11-28-16(9-14(26-28)18(22,23)24)30-13-5-7-27(8-6-13)15-4-3-12(10-25-15)17(19,20)21/h2-6,8,10-14,16,22H,7,9,15H2,1H3;5-6,10-13,15,21H,3-4,7-9,14H2,1-2H3;2-8,11-12,14,17H,9-10,13H2,1H3;2-6,8,10-11,13,15H,7,9,12H2,1H3;3-4,9-10,13H,2,5-8,11H2,1H3/t16-,22-;15-,21-;14-,17-;13-,15-;/m0000./s1.
What are the key properties of 2-[(3S,4S)-4-[1-butyl-3-(3,4,5-trifluorophenyl)pyrazol-5-yl]oxy-3-methylpiperidin-1-yl]-5-(trifluoromethyl)pyridine;2-[(3S,4S)-4-[3-(3,5-difluorophenyl)-1-pyridin-2-ylpyrazol-5-yl]oxy-3-methylpiperidin-1-yl]-5-(trifluoromethyl)pyridine;2-[4-[1-(ethoxymethyl)-3-(trifluoromethyl)pyrazol-5-yl]oxypiperidin-1-yl]-5-(trifluoromethyl)pyridine;2-[(3S,4S)-3-methyl-4-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]oxypiperidin-1-yl]-5-(trifluoromethyl)pyridine;2-[(3S,4S)-3-methyl-4-[1-pyridin-2-yl-3-(trifluoromethyl)pyrazol-5-yl]oxypiperidin-1-yl]-5-(trifluoromethyl)pyridine?
2-[(3S,4S)-4-[1-butyl-3-(3,4,5-trifluorophenyl)pyrazol-5-yl]oxy-3-methylpiperidin-1-yl]-5-(trifluoromethyl)pyridine;2-[(3S,4S)-4-[3-(3,5-difluorophenyl)-1-pyridin-2-ylpyrazol-5-yl]oxy-3-methylpiperidin-1-yl]-5-(trifluoromethyl)pyridine;2-[4-[1-(ethoxymethyl)-3-(trifluoromethyl)pyrazol-5-yl]oxypiperidin-1-yl]-5-(trifluoromethyl)pyridine;2-[(3S,4S)-3-methyl-4-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]oxypiperidin-1-yl]-5-(trifluoromethyl)pyridine;2-[(3S,4S)-3-methyl-4-[1-pyridin-2-yl-3-(trifluoromethyl)pyrazol-5-yl]oxypiperidin-1-yl]-5-(trifluoromethyl)pyridine has a molecular weight of 2408.18 g/mol, XLogP of 27.35, 26 rotatable bonds, 0 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S,4S)-4-[1-butyl-3-(3,4,5-trifluorophenyl)pyrazol-5-yl]oxy-3-methylpiperidin-1-yl]-5-(trifluoromethyl)pyridine;2-[(3S,4S)-4-[3-(3,5-difluorophenyl)-1-pyridin-2-ylpyrazol-5-yl]oxy-3-methylpiperidin-1-yl]-5-(trifluoromethyl)pyridine;2-[4-[1-(ethoxymethyl)-3-(trifluoromethyl)pyrazol-5-yl]oxypiperidin-1-yl]-5-(trifluoromethyl)pyridine;2-[(3S,4S)-3-methyl-4-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]oxypiperidin-1-yl]-5-(trifluoromethyl)pyridine;2-[(3S,4S)-3-methyl-4-[1-pyridin-2-yl-3-(trifluoromethyl)pyrazol-5-yl]oxypiperidin-1-yl]-5-(trifluoromethyl)pyridine is sourced from PubChem (CID 162081448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).