2-[(3S,4S)-4-[1-butyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-3-methylpiperidin-1-yl]-5-(trifluoromethyl)pyridine;2-[(3S,4R)-4-[1-butyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-3-methylpiperidin-1-yl]-5-(trifluoromethyl)pyridine;2-[4-[1-butyl-3-(trifluoromethyl)pyrazol-5-yl]oxypiperidin-1-yl]-5-(trifluoromethyl)pyridine;2-[4-[1-(3-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxypiperidin-1-yl]-5-(trifluoromethyl)pyridine;2-[4-[1-(3-methylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxypiperidin-1-yl]-5-(trifluoromethyl)pyridine;2-[4-[1-propyl-3-(trifluoromethyl)pyrazol-5-yl]oxypiperidin-1-yl]-5-(trifluoromethyl)pyridine

C120H127ClF36N24O6 — CID 161163633

IUPAC2-[(3S,4S)-4-[1-butyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-3-methylpiperidin-1-yl]-5-(trifluoromethyl)pyridine;2-[(3S,4R)-4-[1-butyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-3-methylpiperidin-1-yl]-5-(trifluoromethyl)pyridine;2-[4-[1-butyl-3-(trifluoromethyl)pyrazol-5-yl]oxypiperidin-1-yl]-5-(trifluoromethyl)pyridine;2-[4-[1-(3-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxypiperidin-1-yl]-5-(trifluoromethyl)pyridine;2-[4-[1-(3-methylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxypiperidin-1-yl]-5-(trifluoromethyl)pyridine;2-[4-[1-propyl-3-(trifluoromethyl)pyrazol-5-yl]oxypiperidin-1-yl]-5-(trifluoromethyl)pyridine
SMILESCCCCn1nc(C(F)(F)F)cc1OC1CCN(c2ccc(C(F)(F)F)cn2)CC1.CCCCn1nc(C(F)(F)F)cc1O[C@@H]1CCN(c2ccc(C(F)(F)F)cn2)C[C@@H]1C.CCCCn1nc(C(F)(F)F)cc1O[C@H]1CCN(c2ccc(C(F)(F)F)cn2)C[C@@H]1C.CCCn1nc(C(F)(F)F)cc1OC1CCN(c2ccc(C(F)(F)F)cn2)CC1.Cc1cccc(-n2nc(C(F)(F)F)cc2OC2CCN(c3ccc(C(F)(F)F)cn3)CC2)c1.FC(F)(F)c1ccc(N2CCC(Oc3cc(C(F)(F)F)nn3-c3cccc(Cl)c3)CC2)nc1
InChIInChI=1S/C22H20F6N4O.C21H17ClF6N4O.2C20H24F6N4O.C19H22F6N4O.C18H20F6N4O/c1-14-3-2-4-16(11-14)32-20(12-18(30-32)22(26,27)28)33-17-7-9-31(10-8-17)19-6-5-15(13-29-19)21(23,24)25;22-14-2-1-3-15(10-14)32-19(11-17(30-32)21(26,27)28)33-16-6-8-31(9-7-16)18-5-4-13(12-29-18)20(23,24)25;2*1-3-4-8-30-18(10-16(28-30)20(24,25)26)31-15-7-9-29(12-13(15)2)17-6-5-14(11-27-17)19(21,22)23;1-2-3-8-29-17(11-15(27-29)19(23,24)25)30-14-6-9-28(10-7-14)16-5-4-13(12-26-16)18(20,21)22;1-2-7-28-16(10-14(26-28)18(22,23)24)29-13-5-8-27(9-6-13)15-4-3-12(11-25-15)17(19,20)21/h2-6,11-13,17H,7-10H2,1H3;1-5,10-12,16H,6-9H2;2*5-6,10-11,13,15H,3-4,7-9,12H2,1-2H3;4-5,11-12,14H,2-3,6-10H2,1H3;3-4,10-11,13H,2,5-9H2,1H3/t;;13-,15+;13-,15-;;/m..00../s1
InChIKeyUQFXYOKYOZFYLY-MNJIJFTKSA-N
MW2720.88 g/mol
LogP32.42
Rot. Bonds31

About 2-[(3S,4S)-4-[1-butyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-3-methylpiperidin-1-yl]-5-(trifluoromethyl)pyridine;2-[(3S,4R)-4-[1-butyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-3-methylpiperidin-1-yl]-5-(trifluoromethyl)pyridine;2-[4-[1-butyl-3-(trifluoromethyl)pyrazol-5-yl]oxypiperidin-1-yl]-5-(trifluoromethyl)pyridine;2-[4-[1-(3-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxypiperidin-1-yl]-5-(trifluoromethyl)pyridine;2-[4-[1-(3-methylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxypiperidin-1-yl]-5-(trifluoromethyl)pyridine;2-[4-[1-propyl-3-(trifluoromethyl)pyrazol-5-yl]oxypiperidin-1-yl]-5-(trifluoromethyl)pyridine

2-[(3S,4S)-4-[1-butyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-3-methylpiperidin-1-yl]-5-(trifluoromethyl)pyridine;2-[(3S,4R)-4-[1-butyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-3-methylpiperidin-1-yl]-5-(trifluoromethyl)pyridine;2-[4-[1-butyl-3-(trifluoromethyl)pyrazol-5-yl]oxypiperidin-1-yl]-5-(trifluoromethyl)pyridine;2-[4-[1-(3-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxypiperidin-1-yl]-5-(trifluoromethyl)pyridine;2-[4-[1-(3-methylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxypiperidin-1-yl]-5-(trifluoromethyl)pyridine;2-[4-[1-propyl-3-(trifluoromethyl)pyrazol-5-yl]oxypiperidin-1-yl]-5-(trifluoromethyl)pyridine (PubChem CID 161163633) has the molecular formula C120H127ClF36N24O6 and a molecular weight of 2720.88 g/mol. Its IUPAC name is 2-[(3S,4S)-4-[1-butyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-3-methylpiperidin-1-yl]-5-(trifluoromethyl)pyridine;2-[(3S,4R)-4-[1-butyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-3-methylpiperidin-1-yl]-5-(trifluoromethyl)pyridine;2-[4-[1-butyl-3-(trifluoromethyl)pyrazol-5-yl]oxypiperidin-1-yl]-5-(trifluoromethyl)pyridine;2-[4-[1-(3-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxypiperidin-1-yl]-5-(trifluoromethyl)pyridine;2-[4-[1-(3-methylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxypiperidin-1-yl]-5-(trifluoromethyl)pyridine;2-[4-[1-propyl-3-(trifluoromethyl)pyrazol-5-yl]oxypiperidin-1-yl]-5-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-[(3S,4S)-4-[1-butyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-3-methylpiperidin-1-yl]-5-(trifluoromethyl)pyridine;2-[(3S,4R)-4-[1-butyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-3-methylpiperidin-1-yl]-5-(trifluoromethyl)pyridine;2-[4-[1-butyl-3-(trifluoromethyl)pyrazol-5-yl]oxypiperidin-1-yl]-5-(trifluoromethyl)pyridine;2-[4-[1-(3-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxypiperidin-1-yl]-5-(trifluoromethyl)pyridine;2-[4-[1-(3-methylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxypiperidin-1-yl]-5-(trifluoromethyl)pyridine;2-[4-[1-propyl-3-(trifluoromethyl)pyrazol-5-yl]oxypiperidin-1-yl]-5-(trifluoromethyl)pyridine
PubChem CID161163633
Molecular FormulaC120H127ClF36N24O6
Molecular Weight2720.88 g/mol
Exact Mass2718.95
IUPAC Name2-[(3S,4S)-4-[1-butyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-3-methylpiperidin-1-yl]-5-(trifluoromethyl)pyridine;2-[(3S,4R)-4-[1-butyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-3-methylpiperidin-1-yl]-5-(trifluoromethyl)pyridine;2-[4-[1-butyl-3-(trifluoromethyl)pyrazol-5-yl]oxypiperidin-1-yl]-5-(trifluoromethyl)pyridine;2-[4-[1-(3-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxypiperidin-1-yl]-5-(trifluoromethyl)pyridine;2-[4-[1-(3-methylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxypiperidin-1-yl]-5-(trifluoromethyl)pyridine;2-[4-[1-propyl-3-(trifluoromethyl)pyrazol-5-yl]oxypiperidin-1-yl]-5-(trifluoromethyl)pyridine
SMILESCCCCn1nc(C(F)(F)F)cc1OC1CCN(c2ccc(C(F)(F)F)cn2)CC1.CCCCn1nc(C(F)(F)F)cc1O[C@@H]1CCN(c2ccc(C(F)(F)F)cn2)C[C@@H]1C.CCCCn1nc(C(F)(F)F)cc1O[C@H]1CCN(c2ccc(C(F)(F)F)cn2)C[C@@H]1C.CCCn1nc(C(F)(F)F)cc1OC1CCN(c2ccc(C(F)(F)F)cn2)CC1.Cc1cccc(-n2nc(C(F)(F)F)cc2OC2CCN(c3ccc(C(F)(F)F)cn3)CC2)c1.FC(F)(F)c1ccc(N2CCC(Oc3cc(C(F)(F)F)nn3-c3cccc(Cl)c3)CC2)nc1
InChIInChI=1S/C22H20F6N4O.C21H17ClF6N4O.2C20H24F6N4O.C19H22F6N4O.C18H20F6N4O/c1-14-3-2-4-16(11-14)32-20(12-18(30-32)22(26,27)28)33-17-7-9-31(10-8-17)19-6-5-15(13-29-19)21(23,24)25;22-14-2-1-3-15(10-14)32-19(11-17(30-32)21(26,27)28)33-16-6-8-31(9-7-16)18-5-4-13(12-29-18)20(23,24)25;2*1-3-4-8-30-18(10-16(28-30)20(24,25)26)31-15-7-9-29(12-13(15)2)17-6-5-14(11-27-17)19(21,22)23;1-2-3-8-29-17(11-15(27-29)19(23,24)25)30-14-6-9-28(10-7-14)16-5-4-13(12-26-16)18(20,21)22;1-2-7-28-16(10-14(26-28)18(22,23)24)29-13-5-8-27(9-6-13)15-4-3-12(11-25-15)17(19,20)21/h2-6,11-13,17H,7-10H2,1H3;1-5,10-12,16H,6-9H2;2*5-6,10-11,13,15H,3-4,7-9,12H2,1-2H3;4-5,11-12,14H,2-3,6-10H2,1H3;3-4,10-11,13H,2,5-9H2,1H3/t;;13-,15+;13-,15-;;/m..00../s1
InChIKeyUQFXYOKYOZFYLY-MNJIJFTKSA-N
XLogP32.42
TPSA259.08 Ų
H-Bond Donors
H-Bond Acceptors30
Rotatable Bonds31
Heavy Atoms187
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002720.88
LogP ≤ 532.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1030

Analyze 2-[(3S,4S)-4-[1-butyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-3-methylpiperidin-1-yl]-5-(trifluoromethyl)pyridine;2-[(3S,4R)-4-[1-butyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-3-methylpiperidin-1-yl]-5-(trifluoromethyl)pyridine;2-[4-[1-butyl-3-(trifluoromethyl)pyrazol-5-yl]oxypiperidin-1-yl]-5-(trifluoromethyl)pyridine;2-[4-[1-(3-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxypiperidin-1-yl]-5-(trifluoromethyl)pyridine;2-[4-[1-(3-methylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxypiperidin-1-yl]-5-(trifluoromethyl)pyridine;2-[4-[1-propyl-3-(trifluoromethyl)pyrazol-5-yl]oxypiperidin-1-yl]-5-(trifluoromethyl)pyridine with MolForge

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Related Compounds

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
N-[4-[3-(3-chloro-2-pyridinyl)-1,2,4-triazol-1-yl]phenyl]-4-(3-fluoro-5-morpholin-4-ylphenyl)pyrimidin-2-amine;4-(3-fluoro-5-morpholin-4-ylphenyl)-N-[4-[3-(5-fluoro-2-pyridinyl)-1,2,4-triazol-1-yl]phenyl]pyrimidin-2-amine;4-(3-fluoro-5-morpholin-4-ylphenyl)-N-[4-[3-(4-methoxy-2-pyridinyl)-1,2,4-triazol-1-yl]phenyl]pyrimidin-2-amine;4-(3-fluoro-5-morpholin-4-ylphenyl)-N-[4-[3-[5-(trifluoromethyl)-2-pyridinyl]-1,2,4-triazol-1-yl]phenyl]pyrimidin-2-amine;1-[1-[4-[[4-(3-morpholin-4-ylphenyl)pyrimidin-2-yl]amino]phenyl]-1,2,4-triazol-3-yl]piperidin-4-ol
CID 159833374
chloromethoxyethane;2-[4-[1-(ethoxymethyl)-3-(trifluoromethyl)pyrazol-5-yl]oxypiperidin-1-yl]-5-(trifluoromethyl)pyridine;2-[4-[1-(ethoxymethyl)-5-(trifluoromethyl)pyrazol-3-yl]oxypiperidin-1-yl]-5-(trifluoromethyl)pyridine;methane;5-(trifluoromethyl)-2-[4-[[5-(trifluoromethyl)-1H-pyrazol-3-yl]oxy]piperidin-1-yl]pyridine
CID 161122317
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;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;3-(2,2-dimethylpropyl)-N,N-dimethylpyridin-2-amine;2-(2,2-dimethylpropyl)-3-fluoropyridine;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;3-propan-2-yl-5-(trifluoromethyl)pyridine
CID 161125569
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
1,2-Bis(3-chlorophenyl)-1-[4-[2-(5-ethoxy-3,4-dimethylpyrazol-1-yl)-4-pyridinyl]pyrimidin-2-yl]-2-[4-[2-(5-methoxy-4-methylpyrazol-1-yl)-4-pyridinyl]pyrimidin-2-yl]hydrazine
CID 90951684
3-(2-chloro-4-pyridinyl)-1-methyl-4-(oxan-4-yloxy)pyrazolo[4,3-c]pyridine;1-methyl-3-[2-(3-methylpiperidin-1-yl)-4-pyridinyl]-4-(oxan-4-yloxy)pyrazolo[4,3-c]pyridine;3-[2-(3-methylpiperidin-1-yl)-4-pyridinyl]-4-(oxan-4-yloxy)-1H-pyrrolo[3,4-c]pyridine
CID 157745158
3-(2-chloro-4-pyridinyl)-4-methoxy-1-methylpyrazolo[4,3-c]pyridine;(1S,4S)-5-[4-(4-methoxy-1-methylpyrazolo[4,3-c]pyridin-3-yl)-2-pyridinyl]-2-oxa-5-azabicyclo[2.2.1]heptane;(1S,4S)-5-[4-(4-methoxy-1H-pyrrolo[3,4-c]pyridin-3-yl)-2-pyridinyl]-2-oxa-5-azabicyclo[2.2.1]heptane
CID 158027819
N-[4-[6-amino-5-[1-[4-[3-(dimethylamino)propoxy]-2,3-difluorophenyl]tetrazol-5-yl]-3-pyridinyl]-2-pyridinyl]acetamide;5-(2-chloro-4-pyridinyl)-3-[1-[4-[3-(dimethylamino)propoxy]-2,3-difluorophenyl]tetrazol-5-yl]pyridin-2-amine;3-[1-[4-[3-(dimethylamino)propoxy]-2,3-difluorophenyl]tetrazol-5-yl]-5-[1-(2-methylpropyl)pyrazol-4-yl]pyridin-2-amine;3-[1-[4-[3-(dimethylamino)propoxy]-2,3-difluorophenyl]tetrazol-5-yl]-5-(1-propylpyrazol-4-yl)pyridin-2-amine
CID 158963105
N-benzyl-N-methyl-5-[4-[[methyl(propyl)amino]methyl]-1H-pyrazol-5-yl]pyridin-2-amine;N-[[5-(5-chloro-3-pyridinyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-methyl-N-(2-methylpropyl)-5-[4-[[methyl(propyl)amino]methyl]-1H-pyrazol-5-yl]pyridin-2-amine;N-methyl-N-[[5-(6-morpholin-4-yl-3-pyridinyl)-1H-pyrazol-4-yl]methyl]propan-1-amine;N-methyl-N-[[5-(6-propan-2-yloxy-3-pyridinyl)-1H-pyrazol-4-yl]methyl]propan-1-amine
CID 159005214
5-(2-Chloro-4-pyridinyl)-3-[1-[2,3-difluoro-4-[3-(methylamino)propoxy]phenyl]tetrazol-5-yl]pyridin-2-amine;3-[1-[2,3-difluoro-4-[3-(methylamino)propoxy]phenyl]tetrazol-5-yl]-5-[1-(2-methylpropyl)pyrazol-4-yl]pyridin-2-amine;3-[1-[2,3-difluoro-4-[3-(methylamino)propoxy]phenyl]tetrazol-5-yl]-5-(1-propylpyrazol-4-yl)pyridin-2-amine;3-[1-(2-fluoro-3-methyl-4-pentoxyphenyl)tetrazol-5-yl]-5-(1-methylpyrazol-4-yl)pyridin-2-amine
CID 159422992
3-(2-chloro-4-pyridinyl)-1-methyl-4-(oxan-4-yloxy)pyrazolo[4,3-c]pyridine;(1S,4S)-5-[4-[1-methyl-4-(oxan-4-yloxy)pyrazolo[4,3-c]pyridin-3-yl]-2-pyridinyl]-2-oxa-5-azabicyclo[2.2.1]heptane;(1S,4S)-5-[4-[4-(oxan-4-yloxy)-1H-pyrrolo[3,4-c]pyridin-3-yl]-2-pyridinyl]-2-oxa-5-azabicyclo[2.2.1]heptane
CID 159601896

Frequently Asked Questions

What is the IUPAC name of 2-[(3S,4S)-4-[1-butyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-3-methylpiperidin-1-yl]-5-(trifluoromethyl)pyridine;2-[(3S,4R)-4-[1-butyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-3-methylpiperidin-1-yl]-5-(trifluoromethyl)pyridine;2-[4-[1-butyl-3-(trifluoromethyl)pyrazol-5-yl]oxypiperidin-1-yl]-5-(trifluoromethyl)pyridine;2-[4-[1-(3-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxypiperidin-1-yl]-5-(trifluoromethyl)pyridine;2-[4-[1-(3-methylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxypiperidin-1-yl]-5-(trifluoromethyl)pyridine;2-[4-[1-propyl-3-(trifluoromethyl)pyrazol-5-yl]oxypiperidin-1-yl]-5-(trifluoromethyl)pyridine?
The IUPAC name of 2-[(3S,4S)-4-[1-butyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-3-methylpiperidin-1-yl]-5-(trifluoromethyl)pyridine;2-[(3S,4R)-4-[1-butyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-3-methylpiperidin-1-yl]-5-(trifluoromethyl)pyridine;2-[4-[1-butyl-3-(trifluoromethyl)pyrazol-5-yl]oxypiperidin-1-yl]-5-(trifluoromethyl)pyridine;2-[4-[1-(3-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxypiperidin-1-yl]-5-(trifluoromethyl)pyridine;2-[4-[1-(3-methylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxypiperidin-1-yl]-5-(trifluoromethyl)pyridine;2-[4-[1-propyl-3-(trifluoromethyl)pyrazol-5-yl]oxypiperidin-1-yl]-5-(trifluoromethyl)pyridine (CID 161163633) is 2-[(3S,4S)-4-[1-butyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-3-methylpiperidin-1-yl]-5-(trifluoromethyl)pyridine;2-[(3S,4R)-4-[1-butyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-3-methylpiperidin-1-yl]-5-(trifluoromethyl)pyridine;2-[4-[1-butyl-3-(trifluoromethyl)pyrazol-5-yl]oxypiperidin-1-yl]-5-(trifluoromethyl)pyridine;2-[4-[1-(3-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxypiperidin-1-yl]-5-(trifluoromethyl)pyridine;2-[4-[1-(3-methylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxypiperidin-1-yl]-5-(trifluoromethyl)pyridine;2-[4-[1-propyl-3-(trifluoromethyl)pyrazol-5-yl]oxypiperidin-1-yl]-5-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-[(3S,4S)-4-[1-butyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-3-methylpiperidin-1-yl]-5-(trifluoromethyl)pyridine;2-[(3S,4R)-4-[1-butyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-3-methylpiperidin-1-yl]-5-(trifluoromethyl)pyridine;2-[4-[1-butyl-3-(trifluoromethyl)pyrazol-5-yl]oxypiperidin-1-yl]-5-(trifluoromethyl)pyridine;2-[4-[1-(3-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxypiperidin-1-yl]-5-(trifluoromethyl)pyridine;2-[4-[1-(3-methylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxypiperidin-1-yl]-5-(trifluoromethyl)pyridine;2-[4-[1-propyl-3-(trifluoromethyl)pyrazol-5-yl]oxypiperidin-1-yl]-5-(trifluoromethyl)pyridine?
The canonical SMILES for 2-[(3S,4S)-4-[1-butyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-3-methylpiperidin-1-yl]-5-(trifluoromethyl)pyridine;2-[(3S,4R)-4-[1-butyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-3-methylpiperidin-1-yl]-5-(trifluoromethyl)pyridine;2-[4-[1-butyl-3-(trifluoromethyl)pyrazol-5-yl]oxypiperidin-1-yl]-5-(trifluoromethyl)pyridine;2-[4-[1-(3-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxypiperidin-1-yl]-5-(trifluoromethyl)pyridine;2-[4-[1-(3-methylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxypiperidin-1-yl]-5-(trifluoromethyl)pyridine;2-[4-[1-propyl-3-(trifluoromethyl)pyrazol-5-yl]oxypiperidin-1-yl]-5-(trifluoromethyl)pyridine is CCCCn1nc(C(F)(F)F)cc1OC1CCN(c2ccc(C(F)(F)F)cn2)CC1.CCCCn1nc(C(F)(F)F)cc1O[C@@H]1CCN(c2ccc(C(F)(F)F)cn2)C[C@@H]1C.CCCCn1nc(C(F)(F)F)cc1O[C@H]1CCN(c2ccc(C(F)(F)F)cn2)C[C@@H]1C.CCCn1nc(C(F)(F)F)cc1OC1CCN(c2ccc(C(F)(F)F)cn2)CC1.Cc1cccc(-n2nc(C(F)(F)F)cc2OC2CCN(c3ccc(C(F)(F)F)cn3)CC2)c1.FC(F)(F)c1ccc(N2CCC(Oc3cc(C(F)(F)F)nn3-c3cccc(Cl)c3)CC2)nc1.
What is the InChIKey of 2-[(3S,4S)-4-[1-butyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-3-methylpiperidin-1-yl]-5-(trifluoromethyl)pyridine;2-[(3S,4R)-4-[1-butyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-3-methylpiperidin-1-yl]-5-(trifluoromethyl)pyridine;2-[4-[1-butyl-3-(trifluoromethyl)pyrazol-5-yl]oxypiperidin-1-yl]-5-(trifluoromethyl)pyridine;2-[4-[1-(3-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxypiperidin-1-yl]-5-(trifluoromethyl)pyridine;2-[4-[1-(3-methylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxypiperidin-1-yl]-5-(trifluoromethyl)pyridine;2-[4-[1-propyl-3-(trifluoromethyl)pyrazol-5-yl]oxypiperidin-1-yl]-5-(trifluoromethyl)pyridine?
The InChIKey is UQFXYOKYOZFYLY-MNJIJFTKSA-N. The full InChI is InChI=1S/C22H20F6N4O.C21H17ClF6N4O.2C20H24F6N4O.C19H22F6N4O.C18H20F6N4O/c1-14-3-2-4-16(11-14)32-20(12-18(30-32)22(26,27)28)33-17-7-9-31(10-8-17)19-6-5-15(13-29-19)21(23,24)25;22-14-2-1-3-15(10-14)32-19(11-17(30-32)21(26,27)28)33-16-6-8-31(9-7-16)18-5-4-13(12-29-18)20(23,24)25;2*1-3-4-8-30-18(10-16(28-30)20(24,25)26)31-15-7-9-29(12-13(15)2)17-6-5-14(11-27-17)19(21,22)23;1-2-3-8-29-17(11-15(27-29)19(23,24)25)30-14-6-9-28(10-7-14)16-5-4-13(12-26-16)18(20,21)22;1-2-7-28-16(10-14(26-28)18(22,23)24)29-13-5-8-27(9-6-13)15-4-3-12(11-25-15)17(19,20)21/h2-6,11-13,17H,7-10H2,1H3;1-5,10-12,16H,6-9H2;2*5-6,10-11,13,15H,3-4,7-9,12H2,1-2H3;4-5,11-12,14H,2-3,6-10H2,1H3;3-4,10-11,13H,2,5-9H2,1H3/t;;13-,15+;13-,15-;;/m..00../s1.
What are the key properties of 2-[(3S,4S)-4-[1-butyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-3-methylpiperidin-1-yl]-5-(trifluoromethyl)pyridine;2-[(3S,4R)-4-[1-butyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-3-methylpiperidin-1-yl]-5-(trifluoromethyl)pyridine;2-[4-[1-butyl-3-(trifluoromethyl)pyrazol-5-yl]oxypiperidin-1-yl]-5-(trifluoromethyl)pyridine;2-[4-[1-(3-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxypiperidin-1-yl]-5-(trifluoromethyl)pyridine;2-[4-[1-(3-methylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxypiperidin-1-yl]-5-(trifluoromethyl)pyridine;2-[4-[1-propyl-3-(trifluoromethyl)pyrazol-5-yl]oxypiperidin-1-yl]-5-(trifluoromethyl)pyridine?
2-[(3S,4S)-4-[1-butyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-3-methylpiperidin-1-yl]-5-(trifluoromethyl)pyridine;2-[(3S,4R)-4-[1-butyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-3-methylpiperidin-1-yl]-5-(trifluoromethyl)pyridine;2-[4-[1-butyl-3-(trifluoromethyl)pyrazol-5-yl]oxypiperidin-1-yl]-5-(trifluoromethyl)pyridine;2-[4-[1-(3-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxypiperidin-1-yl]-5-(trifluoromethyl)pyridine;2-[4-[1-(3-methylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxypiperidin-1-yl]-5-(trifluoromethyl)pyridine;2-[4-[1-propyl-3-(trifluoromethyl)pyrazol-5-yl]oxypiperidin-1-yl]-5-(trifluoromethyl)pyridine has a molecular weight of 2720.88 g/mol, XLogP of 32.42, 31 rotatable bonds, 0 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S,4S)-4-[1-butyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-3-methylpiperidin-1-yl]-5-(trifluoromethyl)pyridine;2-[(3S,4R)-4-[1-butyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-3-methylpiperidin-1-yl]-5-(trifluoromethyl)pyridine;2-[4-[1-butyl-3-(trifluoromethyl)pyrazol-5-yl]oxypiperidin-1-yl]-5-(trifluoromethyl)pyridine;2-[4-[1-(3-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxypiperidin-1-yl]-5-(trifluoromethyl)pyridine;2-[4-[1-(3-methylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxypiperidin-1-yl]-5-(trifluoromethyl)pyridine;2-[4-[1-propyl-3-(trifluoromethyl)pyrazol-5-yl]oxypiperidin-1-yl]-5-(trifluoromethyl)pyridine is sourced from PubChem (CID 161163633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).