[(2S,3R)-3-[(5-fluoro-2-pyridinyl)oxy]-2-methylpiperidin-1-yl]-(3-fluoro-2-pyrimidin-2-ylphenyl)methanone;[(2S,3R)-3-(5-fluoropyrimidin-2-yl)oxy-2-methylpiperidin-1-yl]-(3-fluoro-2-pyrimidin-2-ylphenyl)methanone;(3-fluoro-2-pyrimidin-2-ylphenyl)-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone;(3-fluoro-2-pyrimidin-2-ylphenyl)-[(2S,3R)-2-methyl-3-[5-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]methanone;[4-methyl-2-(triazol-2-yl)phenyl]-[(2S,3R)-2-methyl-3-[5-(trifluoromethyl)pyrazin-2-yl]oxypiperidin-1-yl]methanone;[4-methyl-2-(triazol-2-yl)phenyl]-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone

C131H121F18N29O12 — CID 159775536

IUPAC[(2S,3R)-3-[(5-fluoro-2-pyridinyl)oxy]-2-methylpiperidin-1-yl]-(3-fluoro-2-pyrimidin-2-ylphenyl)methanone;[(2S,3R)-3-(5-fluoropyrimidin-2-yl)oxy-2-methylpiperidin-1-yl]-(3-fluoro-2-pyrimidin-2-ylphenyl)methanone;(3-fluoro-2-pyrimidin-2-ylphenyl)-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone;(3-fluoro-2-pyrimidin-2-ylphenyl)-[(2S,3R)-2-methyl-3-[5-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]methanone;[4-methyl-2-(triazol-2-yl)phenyl]-[(2S,3R)-2-methyl-3-[5-(trifluoromethyl)pyrazin-2-yl]oxypiperidin-1-yl]methanone;[4-methyl-2-(triazol-2-yl)phenyl]-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone
SMILESC[C@H]1[C@H](Oc2ccc(C(F)(F)F)cn2)CCCN1C(=O)c1cccc(F)c1-c1ncccn1.C[C@H]1[C@H](Oc2ccc(F)cn2)CCCN1C(=O)c1cccc(F)c1-c1ncccn1.C[C@H]1[C@H](Oc2ncc(C(F)(F)F)cn2)CCCN1C(=O)c1cccc(F)c1-c1ncccn1.C[C@H]1[C@H](Oc2ncc(F)cn2)CCCN1C(=O)c1cccc(F)c1-c1ncccn1.Cc1ccc(C(=O)N2CCC[C@@H](Oc3ccc(C(F)(F)F)cn3)[C@@H]2C)c(-n2nccn2)c1.Cc1ccc(C(=O)N2CCC[C@@H](Oc3cnc(C(F)(F)F)cn3)[C@@H]2C)c(-n2nccn2)c1
InChIInChI=1S/C23H20F4N4O2.C22H19F4N5O2.C22H22F3N5O2.C22H20F2N4O2.C21H21F3N6O2.C21H19F2N5O2/c1-14-18(33-19-9-8-15(13-30-19)23(25,26)27)7-3-12-31(14)22(32)16-5-2-6-17(24)20(16)21-28-10-4-11-29-21;1-13-17(33-21-29-11-14(12-30-21)22(24,25)26)7-3-10-31(13)20(32)15-5-2-6-16(23)18(15)19-27-8-4-9-28-19;1-14-5-7-17(18(12-14)30-27-9-10-28-30)21(31)29-11-3-4-19(15(29)2)32-20-8-6-16(13-26-20)22(23,24)25;1-14-18(30-19-9-8-15(23)13-27-19)7-3-12-28(14)22(29)16-5-2-6-17(24)20(16)21-25-10-4-11-26-21;1-13-5-6-15(16(10-13)30-27-7-8-28-30)20(31)29-9-3-4-17(14(29)2)32-19-12-25-18(11-26-19)21(22,23)24;1-13-17(30-21-26-11-14(22)12-27-21)7-3-10-28(13)20(29)15-5-2-6-16(23)18(15)19-24-8-4-9-25-19/h2,4-6,8-11,13-14,18H,3,7,12H2,1H3;2,4-6,8-9,11-13,17H,3,7,10H2,1H3;5-10,12-13,15,19H,3-4,11H2,1-2H3;2,4-6,8-11,13-14,18H,3,7,12H2,1H3;5-8,10-12,14,17H,3-4,9H2,1-2H3;2,4-6,8-9,11-13,17H,3,7,10H2,1H3/t14-,18+;13-,17+;15-,19+;14-,18+;14-,17+;13-,17+/m000000/s1
InChIKeyNGRMYCWWZXIROB-PJJQFMIUSA-N
MW2635.56 g/mol
LogP23.62
Rot. Bonds24

About [(2S,3R)-3-[(5-fluoro-2-pyridinyl)oxy]-2-methylpiperidin-1-yl]-(3-fluoro-2-pyrimidin-2-ylphenyl)methanone;[(2S,3R)-3-(5-fluoropyrimidin-2-yl)oxy-2-methylpiperidin-1-yl]-(3-fluoro-2-pyrimidin-2-ylphenyl)methanone;(3-fluoro-2-pyrimidin-2-ylphenyl)-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone;(3-fluoro-2-pyrimidin-2-ylphenyl)-[(2S,3R)-2-methyl-3-[5-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]methanone;[4-methyl-2-(triazol-2-yl)phenyl]-[(2S,3R)-2-methyl-3-[5-(trifluoromethyl)pyrazin-2-yl]oxypiperidin-1-yl]methanone;[4-methyl-2-(triazol-2-yl)phenyl]-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone

[(2S,3R)-3-[(5-fluoro-2-pyridinyl)oxy]-2-methylpiperidin-1-yl]-(3-fluoro-2-pyrimidin-2-ylphenyl)methanone;[(2S,3R)-3-(5-fluoropyrimidin-2-yl)oxy-2-methylpiperidin-1-yl]-(3-fluoro-2-pyrimidin-2-ylphenyl)methanone;(3-fluoro-2-pyrimidin-2-ylphenyl)-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone;(3-fluoro-2-pyrimidin-2-ylphenyl)-[(2S,3R)-2-methyl-3-[5-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]methanone;[4-methyl-2-(triazol-2-yl)phenyl]-[(2S,3R)-2-methyl-3-[5-(trifluoromethyl)pyrazin-2-yl]oxypiperidin-1-yl]methanone;[4-methyl-2-(triazol-2-yl)phenyl]-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone (PubChem CID 159775536) has the molecular formula C131H121F18N29O12 and a molecular weight of 2635.56 g/mol. Its IUPAC name is [(2S,3R)-3-[(5-fluoro-2-pyridinyl)oxy]-2-methylpiperidin-1-yl]-(3-fluoro-2-pyrimidin-2-ylphenyl)methanone;[(2S,3R)-3-(5-fluoropyrimidin-2-yl)oxy-2-methylpiperidin-1-yl]-(3-fluoro-2-pyrimidin-2-ylphenyl)methanone;(3-fluoro-2-pyrimidin-2-ylphenyl)-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone;(3-fluoro-2-pyrimidin-2-ylphenyl)-[(2S,3R)-2-methyl-3-[5-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]methanone;[4-methyl-2-(triazol-2-yl)phenyl]-[(2S,3R)-2-methyl-3-[5-(trifluoromethyl)pyrazin-2-yl]oxypiperidin-1-yl]methanone;[4-methyl-2-(triazol-2-yl)phenyl]-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone.

Molecular Properties

Compound Name[(2S,3R)-3-[(5-fluoro-2-pyridinyl)oxy]-2-methylpiperidin-1-yl]-(3-fluoro-2-pyrimidin-2-ylphenyl)methanone;[(2S,3R)-3-(5-fluoropyrimidin-2-yl)oxy-2-methylpiperidin-1-yl]-(3-fluoro-2-pyrimidin-2-ylphenyl)methanone;(3-fluoro-2-pyrimidin-2-ylphenyl)-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone;(3-fluoro-2-pyrimidin-2-ylphenyl)-[(2S,3R)-2-methyl-3-[5-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]methanone;[4-methyl-2-(triazol-2-yl)phenyl]-[(2S,3R)-2-methyl-3-[5-(trifluoromethyl)pyrazin-2-yl]oxypiperidin-1-yl]methanone;[4-methyl-2-(triazol-2-yl)phenyl]-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone
PubChem CID159775536
Molecular FormulaC131H121F18N29O12
Molecular Weight2635.56 g/mol
Exact Mass2633.95
IUPAC Name[(2S,3R)-3-[(5-fluoro-2-pyridinyl)oxy]-2-methylpiperidin-1-yl]-(3-fluoro-2-pyrimidin-2-ylphenyl)methanone;[(2S,3R)-3-(5-fluoropyrimidin-2-yl)oxy-2-methylpiperidin-1-yl]-(3-fluoro-2-pyrimidin-2-ylphenyl)methanone;(3-fluoro-2-pyrimidin-2-ylphenyl)-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone;(3-fluoro-2-pyrimidin-2-ylphenyl)-[(2S,3R)-2-methyl-3-[5-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]methanone;[4-methyl-2-(triazol-2-yl)phenyl]-[(2S,3R)-2-methyl-3-[5-(trifluoromethyl)pyrazin-2-yl]oxypiperidin-1-yl]methanone;[4-methyl-2-(triazol-2-yl)phenyl]-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone
SMILESC[C@H]1[C@H](Oc2ccc(C(F)(F)F)cn2)CCCN1C(=O)c1cccc(F)c1-c1ncccn1.C[C@H]1[C@H](Oc2ccc(F)cn2)CCCN1C(=O)c1cccc(F)c1-c1ncccn1.C[C@H]1[C@H](Oc2ncc(C(F)(F)F)cn2)CCCN1C(=O)c1cccc(F)c1-c1ncccn1.C[C@H]1[C@H](Oc2ncc(F)cn2)CCCN1C(=O)c1cccc(F)c1-c1ncccn1.Cc1ccc(C(=O)N2CCC[C@@H](Oc3ccc(C(F)(F)F)cn3)[C@@H]2C)c(-n2nccn2)c1.Cc1ccc(C(=O)N2CCC[C@@H](Oc3cnc(C(F)(F)F)cn3)[C@@H]2C)c(-n2nccn2)c1
InChIInChI=1S/C23H20F4N4O2.C22H19F4N5O2.C22H22F3N5O2.C22H20F2N4O2.C21H21F3N6O2.C21H19F2N5O2/c1-14-18(33-19-9-8-15(13-30-19)23(25,26)27)7-3-12-31(14)22(32)16-5-2-6-17(24)20(16)21-28-10-4-11-29-21;1-13-17(33-21-29-11-14(12-30-21)22(24,25)26)7-3-10-31(13)20(32)15-5-2-6-16(23)18(15)19-27-8-4-9-28-19;1-14-5-7-17(18(12-14)30-27-9-10-28-30)21(31)29-11-3-4-19(15(29)2)32-20-8-6-16(13-26-20)22(23,24)25;1-14-18(30-19-9-8-15(23)13-27-19)7-3-12-28(14)22(29)16-5-2-6-17(24)20(16)21-25-10-4-11-26-21;1-13-5-6-15(16(10-13)30-27-7-8-28-30)20(31)29-9-3-4-17(14(29)2)32-19-12-25-18(11-26-19)21(22,23)24;1-13-17(30-21-26-11-14(22)12-27-21)7-3-10-28(13)20(29)15-5-2-6-16(23)18(15)19-24-8-4-9-25-19/h2,4-6,8-11,13-14,18H,3,7,12H2,1H3;2,4-6,8-9,11-13,17H,3,7,10H2,1H3;5-10,12-13,15,19H,3-4,11H2,1-2H3;2,4-6,8-11,13-14,18H,3,7,12H2,1H3;5-8,10-12,14,17H,3-4,9H2,1-2H3;2,4-6,8-9,11-13,17H,3,7,10H2,1H3/t14-,18+;13-,17+;15-,19+;14-,18+;14-,17+;13-,17+/m000000/s1
InChIKeyNGRMYCWWZXIROB-PJJQFMIUSA-N
XLogP23.62
TPSA457.79 Ų
H-Bond Donors
H-Bond Acceptors35
Rotatable Bonds24
Heavy Atoms190
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002635.56
LogP ≤ 523.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1035

Analyze [(2S,3R)-3-[(5-fluoro-2-pyridinyl)oxy]-2-methylpiperidin-1-yl]-(3-fluoro-2-pyrimidin-2-ylphenyl)methanone;[(2S,3R)-3-(5-fluoropyrimidin-2-yl)oxy-2-methylpiperidin-1-yl]-(3-fluoro-2-pyrimidin-2-ylphenyl)methanone;(3-fluoro-2-pyrimidin-2-ylphenyl)-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone;(3-fluoro-2-pyrimidin-2-ylphenyl)-[(2S,3R)-2-methyl-3-[5-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]methanone;[4-methyl-2-(triazol-2-yl)phenyl]-[(2S,3R)-2-methyl-3-[5-(trifluoromethyl)pyrazin-2-yl]oxypiperidin-1-yl]methanone;[4-methyl-2-(triazol-2-yl)phenyl]-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone with MolForge

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Related Compounds

[5-Methyl-2-(1-methylpyrazol-4-yl)phenyl]-[3-[2-[1-[4-methyl-2-[3-methyl-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidine-1-carbonyl]phenyl]triazol-4-yl]ethyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidin-1-yl]methanone
CID 123175965
[4,5-Difluoro-2-[4-[[1-[3-fluoro-2-[4-[1-[4-fluoro-2-methyl-6-(triazol-2-yl)benzoyl]-3-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidin-4-yl]triazol-2-yl]-6-methylbenzoyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidin-3-yl]methyl]triazol-2-yl]phenyl]-[3-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidin-1-yl]methanone
CID 123746299
[2-[[(5-Fluoro-1,3-benzoxazol-2-yl)amino]methyl]-3-methylpiperidin-1-yl]-[2-[4-[1-[5-fluoro-2-(triazol-2-yl)benzoyl]-3-methyl-2-[[[5-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]piperidin-4-yl]pyrimidin-2-yl]-5-methylphenyl]methanone
CID 123937600
N-[(2S)-1-(5-chloropyridin-2-yl)oxypropan-2-yl]-N-ethyl-5-[2-[2-[ethyl-[(2S)-1-[5-(trifluoromethyl)pyridin-2-yl]oxypropan-2-yl]carbamoyl]-3-fluorophenyl]pyrimidin-5-yl]-3-fluoro-2-(triazol-2-yl)benzamide
CID 138553779
N-[3-(difluoromethyl)-1-[4-[[[6-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propoxy]-3-pyridinyl]-methylamino]methyl]cyclohexyl]pyrazol-4-yl]-5-morpholin-4-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 146599496
N-ethyl-6-[2-[3-[ethyl-[(2S)-1-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]carbamoyl]-2-pyridinyl]triazol-4-yl]-5-fluoro-3-(1-methylpyrazol-3-yl)-N-[(2S)-1-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]pyridine-2-carboxamide
CID 155048123
N-ethyl-5-[2-[3-[ethyl-[(2S)-1-[5-(trifluoromethyl)pyrimidin-2-yl]oxypropan-2-yl]carbamoyl]-6-methyl-2-pyridinyl]triazol-4-yl]-6-methyl-2-(triazol-2-yl)-N-[(2S)-1-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]pyridine-3-carboxamide
CID 155048132
N-[(2S)-1-[5-(1,1-difluoroethyl)pyrimidin-2-yl]oxypropan-2-yl]-N-ethyl-3-fluoro-2-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide;N-[(2S)-1-[5-(1,1-difluoroethyl)pyrimidin-2-yl]oxypropan-2-yl]-N-ethyl-5-methoxy-2-(triazol-2-yl)benzamide;N-[(2S)-1-[5-(1,1-difluoroethyl)pyrimidin-2-yl]oxypropan-2-yl]-N-ethyl-4-methyl-2-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide;N-[(2S)-1-[5-(1,1-difluoroethyl)pyrimidin-2-yl]oxypropan-2-yl]-N-ethyl-2-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide;N-[(2S)-1-[5-(1,1-difluoroethyl)pyrimidin-2-yl]oxypropan-2-yl]-N-ethyl-3-methyl-2-(triazol-2-yl)benzamide;N-[(2S)-1-[5-(1,1-difluoroethyl)pyrimidin-2-yl]oxypropan-2-yl]-N-ethyl-4-methyl-2-(triazol-2-yl)benzamide
CID 157107931
N-[(2S)-1-[[5-(1,1-difluoroethoxy)-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-3,5-difluoro-2-(triazol-2-yl)benzamide;N-[(2S)-1-[[5-(1,1-difluoroethoxy)-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-3-fluoro-2-pyrimidin-2-ylbenzamide;N-[(2S)-1-[[5-(1,1-difluoroethyl)-3-fluoro-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-2-fluoro-3-methyl-6-(triazol-2-yl)benzamide;N-[(2S)-1-[[5-(1,1-difluoroethyl)-3-fluoro-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-4-methoxy-2-(triazol-2-yl)benzamide;N-[(2S)-1-[[5-(1,1-difluoroethyl)-3-fluoro-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-2-(1-methylpyrazol-4-yl)benzamide;N-ethyl-4-fluoro-N-[(2S)-1-[(5-methyl-2-pyridinyl)oxy]propan-2-yl]-2-pyrimidin-2-ylbenzamide
CID 157137243
(3-Fluoro-2-pyrimidin-2-ylphenyl)-[2-[5-(trifluoromethyl)pyrazin-2-yl]oxy-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[3-fluoro-2-(triazol-2-yl)phenyl]-[2-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[2-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[2-(triazol-2-yl)phenyl]methanone
CID 157181018
(3-Ethoxy-6-methyl-2-pyridinyl)-[2-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;(3-fluoro-2-pyrimidin-2-ylphenyl)-[2-[5-(trifluoromethyl)pyrimidin-2-yl]oxy-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[3-(triazol-2-yl)-2-pyridinyl]-[2-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone
CID 157197432
N-[(2S)-1-[[3-chloro-5-(1,1-difluoroethyl)-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-3-fluoro-2-(triazol-2-yl)benzamide;N-[(2S)-1-[[5-(1,1-difluoroethyl)-3-fluoro-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-3-fluoro-2-(triazol-2-yl)benzamide;N-[(2S)-1-[[5-(1,1-difluoroethyl)-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-2-fluoro-6-pyrimidin-2-ylbenzamide;N-ethyl-3-fluoro-N-[(2S)-1-[(3-fluoro-5-methyl-2-pyridinyl)oxy]propan-2-yl]-2-(triazol-2-yl)benzamide;bis(N-ethyl-3-fluoro-N-[(2S)-1-[(5-methyl-2-pyridinyl)oxy]propan-2-yl]-2-(triazol-2-yl)benzamide);N-ethyl-N-[(2S)-1-[(5-methyl-2-pyridinyl)oxy]propan-2-yl]-2-pyrimidin-2-ylbenzamide
CID 157499815

Frequently Asked Questions

What is the IUPAC name of [(2S,3R)-3-[(5-fluoro-2-pyridinyl)oxy]-2-methylpiperidin-1-yl]-(3-fluoro-2-pyrimidin-2-ylphenyl)methanone;[(2S,3R)-3-(5-fluoropyrimidin-2-yl)oxy-2-methylpiperidin-1-yl]-(3-fluoro-2-pyrimidin-2-ylphenyl)methanone;(3-fluoro-2-pyrimidin-2-ylphenyl)-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone;(3-fluoro-2-pyrimidin-2-ylphenyl)-[(2S,3R)-2-methyl-3-[5-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]methanone;[4-methyl-2-(triazol-2-yl)phenyl]-[(2S,3R)-2-methyl-3-[5-(trifluoromethyl)pyrazin-2-yl]oxypiperidin-1-yl]methanone;[4-methyl-2-(triazol-2-yl)phenyl]-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone?
The IUPAC name of [(2S,3R)-3-[(5-fluoro-2-pyridinyl)oxy]-2-methylpiperidin-1-yl]-(3-fluoro-2-pyrimidin-2-ylphenyl)methanone;[(2S,3R)-3-(5-fluoropyrimidin-2-yl)oxy-2-methylpiperidin-1-yl]-(3-fluoro-2-pyrimidin-2-ylphenyl)methanone;(3-fluoro-2-pyrimidin-2-ylphenyl)-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone;(3-fluoro-2-pyrimidin-2-ylphenyl)-[(2S,3R)-2-methyl-3-[5-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]methanone;[4-methyl-2-(triazol-2-yl)phenyl]-[(2S,3R)-2-methyl-3-[5-(trifluoromethyl)pyrazin-2-yl]oxypiperidin-1-yl]methanone;[4-methyl-2-(triazol-2-yl)phenyl]-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone (CID 159775536) is [(2S,3R)-3-[(5-fluoro-2-pyridinyl)oxy]-2-methylpiperidin-1-yl]-(3-fluoro-2-pyrimidin-2-ylphenyl)methanone;[(2S,3R)-3-(5-fluoropyrimidin-2-yl)oxy-2-methylpiperidin-1-yl]-(3-fluoro-2-pyrimidin-2-ylphenyl)methanone;(3-fluoro-2-pyrimidin-2-ylphenyl)-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone;(3-fluoro-2-pyrimidin-2-ylphenyl)-[(2S,3R)-2-methyl-3-[5-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]methanone;[4-methyl-2-(triazol-2-yl)phenyl]-[(2S,3R)-2-methyl-3-[5-(trifluoromethyl)pyrazin-2-yl]oxypiperidin-1-yl]methanone;[4-methyl-2-(triazol-2-yl)phenyl]-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone.
What is the SMILES notation for [(2S,3R)-3-[(5-fluoro-2-pyridinyl)oxy]-2-methylpiperidin-1-yl]-(3-fluoro-2-pyrimidin-2-ylphenyl)methanone;[(2S,3R)-3-(5-fluoropyrimidin-2-yl)oxy-2-methylpiperidin-1-yl]-(3-fluoro-2-pyrimidin-2-ylphenyl)methanone;(3-fluoro-2-pyrimidin-2-ylphenyl)-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone;(3-fluoro-2-pyrimidin-2-ylphenyl)-[(2S,3R)-2-methyl-3-[5-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]methanone;[4-methyl-2-(triazol-2-yl)phenyl]-[(2S,3R)-2-methyl-3-[5-(trifluoromethyl)pyrazin-2-yl]oxypiperidin-1-yl]methanone;[4-methyl-2-(triazol-2-yl)phenyl]-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone?
The canonical SMILES for [(2S,3R)-3-[(5-fluoro-2-pyridinyl)oxy]-2-methylpiperidin-1-yl]-(3-fluoro-2-pyrimidin-2-ylphenyl)methanone;[(2S,3R)-3-(5-fluoropyrimidin-2-yl)oxy-2-methylpiperidin-1-yl]-(3-fluoro-2-pyrimidin-2-ylphenyl)methanone;(3-fluoro-2-pyrimidin-2-ylphenyl)-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone;(3-fluoro-2-pyrimidin-2-ylphenyl)-[(2S,3R)-2-methyl-3-[5-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]methanone;[4-methyl-2-(triazol-2-yl)phenyl]-[(2S,3R)-2-methyl-3-[5-(trifluoromethyl)pyrazin-2-yl]oxypiperidin-1-yl]methanone;[4-methyl-2-(triazol-2-yl)phenyl]-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone is C[C@H]1[C@H](Oc2ccc(C(F)(F)F)cn2)CCCN1C(=O)c1cccc(F)c1-c1ncccn1.C[C@H]1[C@H](Oc2ccc(F)cn2)CCCN1C(=O)c1cccc(F)c1-c1ncccn1.C[C@H]1[C@H](Oc2ncc(C(F)(F)F)cn2)CCCN1C(=O)c1cccc(F)c1-c1ncccn1.C[C@H]1[C@H](Oc2ncc(F)cn2)CCCN1C(=O)c1cccc(F)c1-c1ncccn1.Cc1ccc(C(=O)N2CCC[C@@H](Oc3ccc(C(F)(F)F)cn3)[C@@H]2C)c(-n2nccn2)c1.Cc1ccc(C(=O)N2CCC[C@@H](Oc3cnc(C(F)(F)F)cn3)[C@@H]2C)c(-n2nccn2)c1.
What is the InChIKey of [(2S,3R)-3-[(5-fluoro-2-pyridinyl)oxy]-2-methylpiperidin-1-yl]-(3-fluoro-2-pyrimidin-2-ylphenyl)methanone;[(2S,3R)-3-(5-fluoropyrimidin-2-yl)oxy-2-methylpiperidin-1-yl]-(3-fluoro-2-pyrimidin-2-ylphenyl)methanone;(3-fluoro-2-pyrimidin-2-ylphenyl)-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone;(3-fluoro-2-pyrimidin-2-ylphenyl)-[(2S,3R)-2-methyl-3-[5-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]methanone;[4-methyl-2-(triazol-2-yl)phenyl]-[(2S,3R)-2-methyl-3-[5-(trifluoromethyl)pyrazin-2-yl]oxypiperidin-1-yl]methanone;[4-methyl-2-(triazol-2-yl)phenyl]-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone?
The InChIKey is NGRMYCWWZXIROB-PJJQFMIUSA-N. The full InChI is InChI=1S/C23H20F4N4O2.C22H19F4N5O2.C22H22F3N5O2.C22H20F2N4O2.C21H21F3N6O2.C21H19F2N5O2/c1-14-18(33-19-9-8-15(13-30-19)23(25,26)27)7-3-12-31(14)22(32)16-5-2-6-17(24)20(16)21-28-10-4-11-29-21;1-13-17(33-21-29-11-14(12-30-21)22(24,25)26)7-3-10-31(13)20(32)15-5-2-6-16(23)18(15)19-27-8-4-9-28-19;1-14-5-7-17(18(12-14)30-27-9-10-28-30)21(31)29-11-3-4-19(15(29)2)32-20-8-6-16(13-26-20)22(23,24)25;1-14-18(30-19-9-8-15(23)13-27-19)7-3-12-28(14)22(29)16-5-2-6-17(24)20(16)21-25-10-4-11-26-21;1-13-5-6-15(16(10-13)30-27-7-8-28-30)20(31)29-9-3-4-17(14(29)2)32-19-12-25-18(11-26-19)21(22,23)24;1-13-17(30-21-26-11-14(22)12-27-21)7-3-10-28(13)20(29)15-5-2-6-16(23)18(15)19-24-8-4-9-25-19/h2,4-6,8-11,13-14,18H,3,7,12H2,1H3;2,4-6,8-9,11-13,17H,3,7,10H2,1H3;5-10,12-13,15,19H,3-4,11H2,1-2H3;2,4-6,8-11,13-14,18H,3,7,12H2,1H3;5-8,10-12,14,17H,3-4,9H2,1-2H3;2,4-6,8-9,11-13,17H,3,7,10H2,1H3/t14-,18+;13-,17+;15-,19+;14-,18+;14-,17+;13-,17+/m000000/s1.
What are the key properties of [(2S,3R)-3-[(5-fluoro-2-pyridinyl)oxy]-2-methylpiperidin-1-yl]-(3-fluoro-2-pyrimidin-2-ylphenyl)methanone;[(2S,3R)-3-(5-fluoropyrimidin-2-yl)oxy-2-methylpiperidin-1-yl]-(3-fluoro-2-pyrimidin-2-ylphenyl)methanone;(3-fluoro-2-pyrimidin-2-ylphenyl)-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone;(3-fluoro-2-pyrimidin-2-ylphenyl)-[(2S,3R)-2-methyl-3-[5-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]methanone;[4-methyl-2-(triazol-2-yl)phenyl]-[(2S,3R)-2-methyl-3-[5-(trifluoromethyl)pyrazin-2-yl]oxypiperidin-1-yl]methanone;[4-methyl-2-(triazol-2-yl)phenyl]-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone?
[(2S,3R)-3-[(5-fluoro-2-pyridinyl)oxy]-2-methylpiperidin-1-yl]-(3-fluoro-2-pyrimidin-2-ylphenyl)methanone;[(2S,3R)-3-(5-fluoropyrimidin-2-yl)oxy-2-methylpiperidin-1-yl]-(3-fluoro-2-pyrimidin-2-ylphenyl)methanone;(3-fluoro-2-pyrimidin-2-ylphenyl)-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone;(3-fluoro-2-pyrimidin-2-ylphenyl)-[(2S,3R)-2-methyl-3-[5-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]methanone;[4-methyl-2-(triazol-2-yl)phenyl]-[(2S,3R)-2-methyl-3-[5-(trifluoromethyl)pyrazin-2-yl]oxypiperidin-1-yl]methanone;[4-methyl-2-(triazol-2-yl)phenyl]-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone has a molecular weight of 2635.56 g/mol, XLogP of 23.62, 24 rotatable bonds, 0 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3R)-3-[(5-fluoro-2-pyridinyl)oxy]-2-methylpiperidin-1-yl]-(3-fluoro-2-pyrimidin-2-ylphenyl)methanone;[(2S,3R)-3-(5-fluoropyrimidin-2-yl)oxy-2-methylpiperidin-1-yl]-(3-fluoro-2-pyrimidin-2-ylphenyl)methanone;(3-fluoro-2-pyrimidin-2-ylphenyl)-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone;(3-fluoro-2-pyrimidin-2-ylphenyl)-[(2S,3R)-2-methyl-3-[5-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]methanone;[4-methyl-2-(triazol-2-yl)phenyl]-[(2S,3R)-2-methyl-3-[5-(trifluoromethyl)pyrazin-2-yl]oxypiperidin-1-yl]methanone;[4-methyl-2-(triazol-2-yl)phenyl]-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone is sourced from PubChem (CID 159775536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).