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

C132H122F23N29O12 — CID 160905055

IUPAC[3-fluoro-2-(5-fluoropyrimidin-2-yl)phenyl]-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone;[3-fluoro-2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)pyrazin-2-yl]amino]piperidin-1-yl]methanone;[4-fluoro-2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]methanone;[4-fluoro-2-(triazol-2-yl)phenyl]-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone;[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]methanone;[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]-(2-pyrimidin-2-ylphenyl)methanone
SMILESC[C@H]1[C@H](Oc2ccc(C(F)(F)F)cn2)CCCN1C(=O)c1ccc(F)cc1-n1nccn1.C[C@H]1[C@H](Oc2ccc(C(F)(F)F)cn2)CCCN1C(=O)c1cccc(F)c1-c1ncc(F)cn1.C[C@H]1[C@H](Oc2ccc(C(F)(F)F)cn2)CCCN1C(=O)c1ccccc1-c1ncccn1.Cc1noc(-c2c(F)cccc2C(=O)N2CCC[C@@H](Nc3cnc(C(F)(F)F)cn3)[C@@H]2C)n1.Cc1noc(-c2cc(F)ccc2C(=O)N2CCC[C@@H](Nc3ccc(C(F)(F)F)cn3)[C@@H]2C)n1.Cc1noc(-c2ccccc2C(=O)N2CCC[C@@H](Nc3ccc(C(F)(F)F)cn3)[C@@H]2C)n1
InChIInChI=1S/C23H19F5N4O2.C23H21F3N4O2.C22H21F4N5O2.C22H22F3N5O2.C21H20F4N6O2.C21H19F4N5O2/c1-13-18(34-19-8-7-14(10-29-19)23(26,27)28)6-3-9-32(13)22(33)16-4-2-5-17(25)20(16)21-30-11-15(24)12-31-21;1-15-19(32-20-10-9-16(14-29-20)23(24,25)26)8-4-13-30(15)22(31)18-7-3-2-6-17(18)21-27-11-5-12-28-21;1-12-18(29-19-8-5-14(11-27-19)22(24,25)26)4-3-9-31(12)21(32)16-7-6-15(23)10-17(16)20-28-13(2)30-33-20;1-13-18(28-19-10-9-15(12-26-19)22(23,24)25)8-5-11-30(13)21(31)17-7-4-3-6-16(17)20-27-14(2)29-32-20;1-11-15(29-17-10-26-16(9-27-17)21(23,24)25)7-4-8-31(11)20(32)13-5-3-6-14(22)18(13)19-28-12(2)30-33-19;1-13-18(32-19-7-4-14(12-26-19)21(23,24)25)3-2-10-29(13)20(31)16-6-5-15(22)11-17(16)30-27-8-9-28-30/h2,4-5,7-8,10-13,18H,3,6,9H2,1H3;2-3,5-7,9-12,14-15,19H,4,8,13H2,1H3;5-8,10-12,18H,3-4,9H2,1-2H3,(H,27,29);3-4,6-7,9-10,12-13,18H,5,8,11H2,1-2H3,(H,26,28);3,5-6,9-11,15H,4,7-8H2,1-2H3,(H,27,29);4-9,11-13,18H,2-3,10H2,1H3/t13-,18+;15-,19+;12-,18+;13-,18+;11-,15+;13-,18+/m000000/s1
InChIKeySQAJNAZSAFUDLM-PHBQJZDXSA-N
MW2743.57 g/mol
LogP26.79
Rot. Bonds24

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

[3-fluoro-2-(5-fluoropyrimidin-2-yl)phenyl]-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone;[3-fluoro-2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)pyrazin-2-yl]amino]piperidin-1-yl]methanone;[4-fluoro-2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]methanone;[4-fluoro-2-(triazol-2-yl)phenyl]-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone;[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]methanone;[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]-(2-pyrimidin-2-ylphenyl)methanone (PubChem CID 160905055) has the molecular formula C132H122F23N29O12 and a molecular weight of 2743.57 g/mol. Its IUPAC name is [3-fluoro-2-(5-fluoropyrimidin-2-yl)phenyl]-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone;[3-fluoro-2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)pyrazin-2-yl]amino]piperidin-1-yl]methanone;[4-fluoro-2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]methanone;[4-fluoro-2-(triazol-2-yl)phenyl]-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone;[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]methanone;[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]-(2-pyrimidin-2-ylphenyl)methanone.

Molecular Properties

Compound Name[3-fluoro-2-(5-fluoropyrimidin-2-yl)phenyl]-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone;[3-fluoro-2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)pyrazin-2-yl]amino]piperidin-1-yl]methanone;[4-fluoro-2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]methanone;[4-fluoro-2-(triazol-2-yl)phenyl]-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone;[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]methanone;[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]-(2-pyrimidin-2-ylphenyl)methanone
PubChem CID160905055
Molecular FormulaC132H122F23N29O12
Molecular Weight2743.57 g/mol
Exact Mass2741.95
IUPAC Name[3-fluoro-2-(5-fluoropyrimidin-2-yl)phenyl]-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone;[3-fluoro-2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)pyrazin-2-yl]amino]piperidin-1-yl]methanone;[4-fluoro-2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]methanone;[4-fluoro-2-(triazol-2-yl)phenyl]-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone;[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]methanone;[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]-(2-pyrimidin-2-ylphenyl)methanone
SMILESC[C@H]1[C@H](Oc2ccc(C(F)(F)F)cn2)CCCN1C(=O)c1ccc(F)cc1-n1nccn1.C[C@H]1[C@H](Oc2ccc(C(F)(F)F)cn2)CCCN1C(=O)c1cccc(F)c1-c1ncc(F)cn1.C[C@H]1[C@H](Oc2ccc(C(F)(F)F)cn2)CCCN1C(=O)c1ccccc1-c1ncccn1.Cc1noc(-c2c(F)cccc2C(=O)N2CCC[C@@H](Nc3cnc(C(F)(F)F)cn3)[C@@H]2C)n1.Cc1noc(-c2cc(F)ccc2C(=O)N2CCC[C@@H](Nc3ccc(C(F)(F)F)cn3)[C@@H]2C)n1.Cc1noc(-c2ccccc2C(=O)N2CCC[C@@H](Nc3ccc(C(F)(F)F)cn3)[C@@H]2C)n1
InChIInChI=1S/C23H19F5N4O2.C23H21F3N4O2.C22H21F4N5O2.C22H22F3N5O2.C21H20F4N6O2.C21H19F4N5O2/c1-13-18(34-19-8-7-14(10-29-19)23(26,27)28)6-3-9-32(13)22(33)16-4-2-5-17(25)20(16)21-30-11-15(24)12-31-21;1-15-19(32-20-10-9-16(14-29-20)23(24,25)26)8-4-13-30(15)22(31)18-7-3-2-6-17(18)21-27-11-5-12-28-21;1-12-18(29-19-8-5-14(11-27-19)22(24,25)26)4-3-9-31(12)21(32)16-7-6-15(23)10-17(16)20-28-13(2)30-33-20;1-13-18(28-19-10-9-15(12-26-19)22(23,24)25)8-5-11-30(13)21(31)17-7-4-3-6-16(17)20-27-14(2)29-32-20;1-11-15(29-17-10-26-16(9-27-17)21(23,24)25)7-4-8-31(11)20(32)13-5-3-6-14(22)18(13)19-28-12(2)30-33-19;1-13-18(32-19-7-4-14(12-26-19)21(23,24)25)3-2-10-29(13)20(31)16-6-5-15(22)11-17(16)30-27-8-9-28-30/h2,4-5,7-8,10-13,18H,3,6,9H2,1H3;2-3,5-7,9-12,14-15,19H,4,8,13H2,1H3;5-8,10-12,18H,3-4,9H2,1-2H3,(H,27,29);3-4,6-7,9-10,12-13,18H,5,8,11H2,1-2H3,(H,26,28);3,5-6,9-11,15H,4,7-8H2,1-2H3,(H,27,29);4-9,11-13,18H,2-3,10H2,1H3/t13-,18+;15-,19+;12-,18+;13-,18+;11-,15+;13-,18+/m000000/s1
InChIKeySQAJNAZSAFUDLM-PHBQJZDXSA-N
XLogP26.79
TPSA474.90 Ų
H-Bond Donors3
H-Bond Acceptors35
Rotatable Bonds24
Heavy Atoms196
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002743.57
LogP ≤ 526.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1035

Analyze [3-fluoro-2-(5-fluoropyrimidin-2-yl)phenyl]-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone;[3-fluoro-2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)pyrazin-2-yl]amino]piperidin-1-yl]methanone;[4-fluoro-2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]methanone;[4-fluoro-2-(triazol-2-yl)phenyl]-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone;[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]methanone;[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]-(2-pyrimidin-2-ylphenyl)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
6-(3-fluoropyrrolidin-1-yl)-N-(6-morpholin-4-yl-2-pyridinyl)-8-[[6-[[5-[2-(trifluoromethyl)phenyl]-1-[[6-[[5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]-2-pyridinyl]oxy]pyrazolo[1,5-a]pyrimidin-1-ium-3-carbonyl]amino]-2-pyridinyl]oxymethyl]imidazo[1,2-b]pyridazine-3-carboxamide
CID 124017564
N-ethyl-5-[2-[5-[2-[ethyl-[(2S)-1-[5-(trifluoromethyl)pyrimidin-2-yl]oxypropan-2-yl]carbamoyl]phenyl]-1,2,4-oxadiazol-3-yl]ethoxy]-2-(triazol-2-yl)-N-[(2S)-1-[5-(trifluoromethyl)pyrimidin-2-yl]oxypropan-2-yl]benzamide
CID 138553029
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-[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 146599498
N-[3-(difluoromethyl)-1-[4-[[2-[6-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propoxy]-3-pyridinyl]ethylamino]methyl]cyclohexyl]pyrazol-4-yl]-5-morpholin-4-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 156904495
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-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
3-(5-Fluoro-2-methoxyphenyl)-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-(2-methylphenyl)-1,2,4-oxadiazole;5-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]pyridin-2-amine;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-pyrazin-2-yl-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-[6-(trifluoromethyl)-3-pyridinyl]-1,2,4-oxadiazole
CID 157454537
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
8-cyclopentyl-6-[3-(2-fluorophenyl)prop-1-ynyl]-2-[4-(piperidin-4-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;8-[[3-[2-(dimethylamino)ethyl]imidazol-4-yl]methyl]-6-[2-(4-methylphenyl)ethynyl]-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-(2-methylphenyl)ethynyl]-2-(3-methyl-4-piperazin-1-ylanilino)-8-[(3-pyrazol-1-ylfuran-2-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;6-[2-(4-methyl-3H-pyrrol-5-yl)ethynyl]-2-[4-(piperidin-4-ylamino)anilino]-8-[[2-(trifluoromethyl)furan-3-yl]methyl]pyrido[2,3-d]pyrimidin-7-one
CID 157632669

Frequently Asked Questions

What is the IUPAC name of [3-fluoro-2-(5-fluoropyrimidin-2-yl)phenyl]-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone;[3-fluoro-2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)pyrazin-2-yl]amino]piperidin-1-yl]methanone;[4-fluoro-2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]methanone;[4-fluoro-2-(triazol-2-yl)phenyl]-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone;[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]methanone;[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]-(2-pyrimidin-2-ylphenyl)methanone?
The IUPAC name of [3-fluoro-2-(5-fluoropyrimidin-2-yl)phenyl]-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone;[3-fluoro-2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)pyrazin-2-yl]amino]piperidin-1-yl]methanone;[4-fluoro-2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]methanone;[4-fluoro-2-(triazol-2-yl)phenyl]-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone;[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]methanone;[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]-(2-pyrimidin-2-ylphenyl)methanone (CID 160905055) is [3-fluoro-2-(5-fluoropyrimidin-2-yl)phenyl]-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone;[3-fluoro-2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)pyrazin-2-yl]amino]piperidin-1-yl]methanone;[4-fluoro-2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]methanone;[4-fluoro-2-(triazol-2-yl)phenyl]-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone;[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]methanone;[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]-(2-pyrimidin-2-ylphenyl)methanone.
What is the SMILES notation for [3-fluoro-2-(5-fluoropyrimidin-2-yl)phenyl]-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone;[3-fluoro-2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)pyrazin-2-yl]amino]piperidin-1-yl]methanone;[4-fluoro-2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]methanone;[4-fluoro-2-(triazol-2-yl)phenyl]-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone;[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]methanone;[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]-(2-pyrimidin-2-ylphenyl)methanone?
The canonical SMILES for [3-fluoro-2-(5-fluoropyrimidin-2-yl)phenyl]-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone;[3-fluoro-2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)pyrazin-2-yl]amino]piperidin-1-yl]methanone;[4-fluoro-2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]methanone;[4-fluoro-2-(triazol-2-yl)phenyl]-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone;[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]methanone;[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]-(2-pyrimidin-2-ylphenyl)methanone is C[C@H]1[C@H](Oc2ccc(C(F)(F)F)cn2)CCCN1C(=O)c1ccc(F)cc1-n1nccn1.C[C@H]1[C@H](Oc2ccc(C(F)(F)F)cn2)CCCN1C(=O)c1cccc(F)c1-c1ncc(F)cn1.C[C@H]1[C@H](Oc2ccc(C(F)(F)F)cn2)CCCN1C(=O)c1ccccc1-c1ncccn1.Cc1noc(-c2c(F)cccc2C(=O)N2CCC[C@@H](Nc3cnc(C(F)(F)F)cn3)[C@@H]2C)n1.Cc1noc(-c2cc(F)ccc2C(=O)N2CCC[C@@H](Nc3ccc(C(F)(F)F)cn3)[C@@H]2C)n1.Cc1noc(-c2ccccc2C(=O)N2CCC[C@@H](Nc3ccc(C(F)(F)F)cn3)[C@@H]2C)n1.
What is the InChIKey of [3-fluoro-2-(5-fluoropyrimidin-2-yl)phenyl]-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone;[3-fluoro-2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)pyrazin-2-yl]amino]piperidin-1-yl]methanone;[4-fluoro-2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]methanone;[4-fluoro-2-(triazol-2-yl)phenyl]-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone;[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]methanone;[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]-(2-pyrimidin-2-ylphenyl)methanone?
The InChIKey is SQAJNAZSAFUDLM-PHBQJZDXSA-N. The full InChI is InChI=1S/C23H19F5N4O2.C23H21F3N4O2.C22H21F4N5O2.C22H22F3N5O2.C21H20F4N6O2.C21H19F4N5O2/c1-13-18(34-19-8-7-14(10-29-19)23(26,27)28)6-3-9-32(13)22(33)16-4-2-5-17(25)20(16)21-30-11-15(24)12-31-21;1-15-19(32-20-10-9-16(14-29-20)23(24,25)26)8-4-13-30(15)22(31)18-7-3-2-6-17(18)21-27-11-5-12-28-21;1-12-18(29-19-8-5-14(11-27-19)22(24,25)26)4-3-9-31(12)21(32)16-7-6-15(23)10-17(16)20-28-13(2)30-33-20;1-13-18(28-19-10-9-15(12-26-19)22(23,24)25)8-5-11-30(13)21(31)17-7-4-3-6-16(17)20-27-14(2)29-32-20;1-11-15(29-17-10-26-16(9-27-17)21(23,24)25)7-4-8-31(11)20(32)13-5-3-6-14(22)18(13)19-28-12(2)30-33-19;1-13-18(32-19-7-4-14(12-26-19)21(23,24)25)3-2-10-29(13)20(31)16-6-5-15(22)11-17(16)30-27-8-9-28-30/h2,4-5,7-8,10-13,18H,3,6,9H2,1H3;2-3,5-7,9-12,14-15,19H,4,8,13H2,1H3;5-8,10-12,18H,3-4,9H2,1-2H3,(H,27,29);3-4,6-7,9-10,12-13,18H,5,8,11H2,1-2H3,(H,26,28);3,5-6,9-11,15H,4,7-8H2,1-2H3,(H,27,29);4-9,11-13,18H,2-3,10H2,1H3/t13-,18+;15-,19+;12-,18+;13-,18+;11-,15+;13-,18+/m000000/s1.
What are the key properties of [3-fluoro-2-(5-fluoropyrimidin-2-yl)phenyl]-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone;[3-fluoro-2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)pyrazin-2-yl]amino]piperidin-1-yl]methanone;[4-fluoro-2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]methanone;[4-fluoro-2-(triazol-2-yl)phenyl]-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone;[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]methanone;[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]-(2-pyrimidin-2-ylphenyl)methanone?
[3-fluoro-2-(5-fluoropyrimidin-2-yl)phenyl]-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone;[3-fluoro-2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)pyrazin-2-yl]amino]piperidin-1-yl]methanone;[4-fluoro-2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]methanone;[4-fluoro-2-(triazol-2-yl)phenyl]-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone;[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]methanone;[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]-(2-pyrimidin-2-ylphenyl)methanone has a molecular weight of 2743.57 g/mol, XLogP of 26.79, 24 rotatable bonds, 3 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for [3-fluoro-2-(5-fluoropyrimidin-2-yl)phenyl]-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone;[3-fluoro-2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)pyrazin-2-yl]amino]piperidin-1-yl]methanone;[4-fluoro-2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]methanone;[4-fluoro-2-(triazol-2-yl)phenyl]-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone;[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]methanone;[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]-(2-pyrimidin-2-ylphenyl)methanone is sourced from PubChem (CID 160905055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).