[(2S,3R)-3-[(5-chloro-2-pyridinyl)amino]-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone;[4-methyl-2-(triazol-2-yl)phenyl]-[(2S,3R)-2-methyl-3-[5-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]methanone;[5-methyl-3-(triazol-2-yl)-2-pyridinyl]-[(2S,3R)-2-methyl-3-[5-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]methanone;[6-methyl-3-(triazol-2-yl)-2-pyridinyl]-[(2S,3R)-2-methyl-3-[5-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]methanone;[(2S,3R)-2-methyl-3-[5-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone

C101H101ClF12N32O9 — CID 161019399

IUPAC[(2S,3R)-3-[(5-chloro-2-pyridinyl)amino]-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone;[4-methyl-2-(triazol-2-yl)phenyl]-[(2S,3R)-2-methyl-3-[5-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]methanone;[5-methyl-3-(triazol-2-yl)-2-pyridinyl]-[(2S,3R)-2-methyl-3-[5-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]methanone;[6-methyl-3-(triazol-2-yl)-2-pyridinyl]-[(2S,3R)-2-methyl-3-[5-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]methanone;[(2S,3R)-2-methyl-3-[5-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone
SMILESC[C@H]1[C@H](Nc2ccc(Cl)cn2)CCCN1C(=O)c1ccccc1-n1nccn1.C[C@H]1[C@H](Oc2ncc(C(F)(F)F)cn2)CCCN1C(=O)c1ccccc1-n1nccn1.Cc1ccc(-n2nccn2)c(C(=O)N2CCC[C@@H](Oc3ncc(C(F)(F)F)cn3)[C@@H]2C)n1.Cc1ccc(C(=O)N2CCC[C@@H](Oc3ncc(C(F)(F)F)cn3)[C@@H]2C)c(-n2nccn2)c1.Cc1cnc(C(=O)N2CCC[C@@H](Oc3ncc(C(F)(F)F)cn3)[C@@H]2C)c(-n2nccn2)c1
InChIInChI=1S/C21H21F3N6O2.C20H21ClN6O.2C20H20F3N7O2.C20H19F3N6O2/c1-13-5-6-16(17(10-13)30-27-7-8-28-30)19(31)29-9-3-4-18(14(29)2)32-20-25-11-15(12-26-20)21(22,23)24;1-14-17(25-19-9-8-15(21)13-22-19)6-4-12-26(14)20(28)16-5-2-3-7-18(16)27-23-10-11-24-27;1-12-5-6-15(30-26-7-8-27-30)17(28-12)18(31)29-9-3-4-16(13(29)2)32-19-24-10-14(11-25-19)20(21,22)23;1-12-8-15(30-27-5-6-28-30)17(24-9-12)18(31)29-7-3-4-16(13(29)2)32-19-25-10-14(11-26-19)20(21,22)23;1-13-17(31-19-24-11-14(12-25-19)20(21,22)23)7-4-10-28(13)18(30)15-5-2-3-6-16(15)29-26-8-9-27-29/h5-8,10-12,14,18H,3-4,9H2,1-2H3;2-3,5,7-11,13-14,17H,4,6,12H2,1H3,(H,22,25);5-8,10-11,13,16H,3-4,9H2,1-2H3;5-6,8-11,13,16H,3-4,7H2,1-2H3;2-3,5-6,8-9,11-13,17H,4,7,10H2,1H3/t14-,18+;14-,17+;2*13-,16+;13-,17+/m00000/s1
InChIKeyTYDXNXCBTVZIHZ-MUJPCWBTSA-N
MW2170.56 g/mol
LogP15.73
Rot. Bonds20

About [(2S,3R)-3-[(5-chloro-2-pyridinyl)amino]-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone;[4-methyl-2-(triazol-2-yl)phenyl]-[(2S,3R)-2-methyl-3-[5-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]methanone;[5-methyl-3-(triazol-2-yl)-2-pyridinyl]-[(2S,3R)-2-methyl-3-[5-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]methanone;[6-methyl-3-(triazol-2-yl)-2-pyridinyl]-[(2S,3R)-2-methyl-3-[5-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]methanone;[(2S,3R)-2-methyl-3-[5-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone

[(2S,3R)-3-[(5-chloro-2-pyridinyl)amino]-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone;[4-methyl-2-(triazol-2-yl)phenyl]-[(2S,3R)-2-methyl-3-[5-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]methanone;[5-methyl-3-(triazol-2-yl)-2-pyridinyl]-[(2S,3R)-2-methyl-3-[5-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]methanone;[6-methyl-3-(triazol-2-yl)-2-pyridinyl]-[(2S,3R)-2-methyl-3-[5-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]methanone;[(2S,3R)-2-methyl-3-[5-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone (PubChem CID 161019399) has the molecular formula C101H101ClF12N32O9 and a molecular weight of 2170.56 g/mol. Its IUPAC name is [(2S,3R)-3-[(5-chloro-2-pyridinyl)amino]-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone;[4-methyl-2-(triazol-2-yl)phenyl]-[(2S,3R)-2-methyl-3-[5-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]methanone;[5-methyl-3-(triazol-2-yl)-2-pyridinyl]-[(2S,3R)-2-methyl-3-[5-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]methanone;[6-methyl-3-(triazol-2-yl)-2-pyridinyl]-[(2S,3R)-2-methyl-3-[5-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]methanone;[(2S,3R)-2-methyl-3-[5-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone.

Molecular Properties

Compound Name[(2S,3R)-3-[(5-chloro-2-pyridinyl)amino]-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone;[4-methyl-2-(triazol-2-yl)phenyl]-[(2S,3R)-2-methyl-3-[5-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]methanone;[5-methyl-3-(triazol-2-yl)-2-pyridinyl]-[(2S,3R)-2-methyl-3-[5-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]methanone;[6-methyl-3-(triazol-2-yl)-2-pyridinyl]-[(2S,3R)-2-methyl-3-[5-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]methanone;[(2S,3R)-2-methyl-3-[5-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone
PubChem CID161019399
Molecular FormulaC101H101ClF12N32O9
Molecular Weight2170.56 g/mol
Exact Mass2168.79
IUPAC Name[(2S,3R)-3-[(5-chloro-2-pyridinyl)amino]-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone;[4-methyl-2-(triazol-2-yl)phenyl]-[(2S,3R)-2-methyl-3-[5-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]methanone;[5-methyl-3-(triazol-2-yl)-2-pyridinyl]-[(2S,3R)-2-methyl-3-[5-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]methanone;[6-methyl-3-(triazol-2-yl)-2-pyridinyl]-[(2S,3R)-2-methyl-3-[5-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]methanone;[(2S,3R)-2-methyl-3-[5-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone
SMILESC[C@H]1[C@H](Nc2ccc(Cl)cn2)CCCN1C(=O)c1ccccc1-n1nccn1.C[C@H]1[C@H](Oc2ncc(C(F)(F)F)cn2)CCCN1C(=O)c1ccccc1-n1nccn1.Cc1ccc(-n2nccn2)c(C(=O)N2CCC[C@@H](Oc3ncc(C(F)(F)F)cn3)[C@@H]2C)n1.Cc1ccc(C(=O)N2CCC[C@@H](Oc3ncc(C(F)(F)F)cn3)[C@@H]2C)c(-n2nccn2)c1.Cc1cnc(C(=O)N2CCC[C@@H](Oc3ncc(C(F)(F)F)cn3)[C@@H]2C)c(-n2nccn2)c1
InChIInChI=1S/C21H21F3N6O2.C20H21ClN6O.2C20H20F3N7O2.C20H19F3N6O2/c1-13-5-6-16(17(10-13)30-27-7-8-28-30)19(31)29-9-3-4-18(14(29)2)32-20-25-11-15(12-26-20)21(22,23)24;1-14-17(25-19-9-8-15(21)13-22-19)6-4-12-26(14)20(28)16-5-2-3-7-18(16)27-23-10-11-24-27;1-12-5-6-15(30-26-7-8-27-30)17(28-12)18(31)29-9-3-4-16(13(29)2)32-19-24-10-14(11-25-19)20(21,22)23;1-12-8-15(30-27-5-6-28-30)17(24-9-12)18(31)29-7-3-4-16(13(29)2)32-19-25-10-14(11-26-19)20(21,22)23;1-13-17(31-19-24-11-14(12-25-19)20(21,22)23)7-4-10-28(13)18(30)15-5-2-3-6-16(15)29-26-8-9-27-29/h5-8,10-12,14,18H,3-4,9H2,1-2H3;2-3,5,7-11,13-14,17H,4,6,12H2,1H3,(H,22,25);5-8,10-11,13,16H,3-4,9H2,1-2H3;5-6,8-11,13,16H,3-4,7H2,1-2H3;2-3,5-6,8-9,11-13,17H,4,7,10H2,1H3/t14-,18+;14-,17+;2*13-,16+;13-,17+/m00000/s1
InChIKeyTYDXNXCBTVZIHZ-MUJPCWBTSA-N
XLogP15.73
TPSA445.84 Ų
H-Bond Donors1
H-Bond Acceptors36
Rotatable Bonds20
Heavy Atoms155
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002170.56
LogP ≤ 515.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1036

Analyze [(2S,3R)-3-[(5-chloro-2-pyridinyl)amino]-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone;[4-methyl-2-(triazol-2-yl)phenyl]-[(2S,3R)-2-methyl-3-[5-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]methanone;[5-methyl-3-(triazol-2-yl)-2-pyridinyl]-[(2S,3R)-2-methyl-3-[5-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]methanone;[6-methyl-3-(triazol-2-yl)-2-pyridinyl]-[(2S,3R)-2-methyl-3-[5-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]methanone;[(2S,3R)-2-methyl-3-[5-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone with MolForge

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Related Compounds

[2-[[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[3-methyl-2-(triazol-2-yl)phenyl]methanone;[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[6-methyl-2-(triazol-2-yl)-3-pyridinyl]methanone;[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[6-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone
CID 157585756
N-[2-(tert-butylcarbamoyl)-4-isocyano-6-methylphenyl]-1-(3-chloro-2-pyridinyl)-3-[[5-(trifluoromethyl)tetrazol-1-yl]methyl]pyrazole-5-carboxamide;N-[2-(tert-butylcarbamoyl)-4-isocyano-6-methylphenyl]-1-(3-chloro-2-pyridinyl)-3-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]pyrazole-5-carboxamide;1-(3-chloro-2-pyridinyl)-N-[4-isocyano-2-methyl-6-(methylcarbamoyl)phenyl]-3-[(5-methyltetrazol-1-yl)methyl]pyrazole-5-carboxamide;1-(3-chloro-2-pyridinyl)-N-[4-isocyano-2-methyl-6-(methylcarbamoyl)phenyl]-3-[(5-methyltetrazol-2-yl)methyl]pyrazole-5-carboxamide
CID 157608509
[2-[[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[2-(5-fluoropyrimidin-2-yl)phenyl]methanone;[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]-(3-fluoro-2-pyrimidin-2-ylphenyl)methanone;[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[3-fluoro-2-(triazol-2-yl)phenyl]methanone
CID 157617989
N-(2-carbamoyl-4-isocyano-6-methylphenyl)-1-(3-chloro-2-pyridinyl)-3-[[5-(trifluoromethyl)tetrazol-1-yl]methyl]pyrazole-5-carboxamide;1-(3-chloro-2-pyridinyl)-N-[2-(cyclopropylcarbamoyl)-4-isocyano-6-methylphenyl]-3-[[5-(trifluoromethyl)tetrazol-1-yl]methyl]pyrazole-5-carboxamide;1-(3-chloro-2-pyridinyl)-N-[4-isocyano-2-methyl-6-(propan-2-ylcarbamoyl)phenyl]-3-[[5-(trifluoromethyl)tetrazol-1-yl]methyl]pyrazole-5-carboxamide
CID 157633000
(2-Fluoro-6-pyrimidin-2-ylphenyl)-[2-[5-(trifluoromethyl)pyrimidin-2-yl]oxy-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[6-methyl-3-(triazol-2-yl)-2-pyridinyl]-[2-[5-(trifluoromethyl)pyrimidin-2-yl]oxy-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[2-(triazol-2-yl)phenyl]-[2-[5-(trifluoromethyl)pyrimidin-2-yl]oxy-7-azabicyclo[2.2.1]heptan-7-yl]methanone
CID 157967936
N-[2-(tert-butylcarbamoyl)-4-isocyano-6-methylphenyl]-1-(3-chloro-2-pyridinyl)-3-[(5-methyltetrazol-2-yl)methyl]pyrazole-5-carboxamide;N-[2-(tert-butylcarbamoyl)-4-isocyano-6-methylphenyl]-1-(3-chloro-2-pyridinyl)-3-[[5-(trifluoromethyl)tetrazol-1-yl]methyl]pyrazole-5-carboxamide;1-(3-chloro-2-pyridinyl)-N-[4-isocyano-2-methyl-6-(methylcarbamoyl)phenyl]-3-[(5-methyltetrazol-1-yl)methyl]pyrazole-5-carboxamide;1-(3-chloro-2-pyridinyl)-N-[4-isocyano-2-methyl-6-(methylcarbamoyl)phenyl]-3-[(5-methyltetrazol-2-yl)methyl]pyrazole-5-carboxamide;methane
CID 157988591
tert-butyl 4-[5-(azetidin-1-yl)-2-[(2S)-1-[5-chloro-2-(propan-2-yloxycarbonylamino)benzoyl]piperidin-2-yl]pyrazolo[1,5-a]pyrimidin-7-yl]piperazine-1-carboxylate;(4,6-dimethyl-2-pyridinyl)-[(2S)-2-[6-methyl-5-[(3S)-3-(methylamino)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;[(2S)-2-[6-methyl-5-[(3S)-3-(methylamino)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-[6-(trifluoromethyl)-2-pyridinyl]methanone;propan-2-yl N-[2-[(2S)-2-[5-(azetidin-1-yl)-7-piperidin-1-ylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]carbamate
CID 158155068
N-[2-(tert-butylcarbamoyl)-4-isocyano-6-methylphenyl]-1-(3-chloro-2-pyridinyl)-3-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]pyrazole-5-carboxamide;1-(3-chloro-2-pyridinyl)-N-[2-(ethylcarbamoyl)-4-isocyano-6-methylphenyl]-3-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]pyrazole-5-carboxamide;1-(3-chloro-2-pyridinyl)-N-[4-isocyano-2-methyl-6-(methylcarbamoyl)phenyl]-3-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]pyrazole-5-carboxamide
CID 158208679
[(2S,3R)-3-[(5-chloropyrimidin-2-yl)amino]-2-methylpiperidin-1-yl]-[4-methyl-2-(triazol-2-yl)phenyl]methanone;[(2S,3R)-3-[(5-chloropyrimidin-2-yl)amino]-2-methylpiperidin-1-yl]-[5-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone;[6-methyl-3-(triazol-2-yl)-2-pyridinyl]-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)pyrazin-2-yl]amino]piperidin-1-yl]methanone
CID 158350839
tert-butyl 4-[5-(azetidin-1-yl)-2-[(2S)-1-[5-chloro-2-(propan-2-yloxycarbonylamino)benzoyl]piperidin-2-yl]pyrazolo[1,5-a]pyrimidin-7-yl]piperazine-1-carboxylate;N-[4-chloro-2-[(2S)-2-[6-methyl-5-[(3S)-3-(methylamino)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]phenyl]-2,2-difluoroacetamide;3-[4-chloro-2-[(2S)-2-[6-methyl-5-[(3S)-3-(methylamino)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]phenyl]-1,1-dimethylurea;(4,6-dimethyl-2-pyridinyl)-[(2S)-2-[6-methyl-5-[(3S)-3-(methylamino)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;[(2S)-2-[6-methyl-5-[(3S)-3-(methylamino)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-[6-(trifluoromethyl)-2-pyridinyl]methanone
CID 158939137
3-chloro-N-[(2S)-4-[5-(1,1-difluoroethyl)pyrimidin-2-yl]butan-2-yl]-N-ethyl-2-(triazol-2-yl)benzamide;N-[(2S)-4-[5-(1,1-difluoroethyl)pyrimidin-2-yl]butan-2-yl]-N-ethyl-3,4-difluoro-2-(triazol-2-yl)benzamide;N-[(2S)-4-[5-(1,1-difluoroethyl)pyrimidin-2-yl]butan-2-yl]-N-ethyl-3,5-difluoro-2-(triazol-2-yl)benzamide;N-[(2S)-4-[5-(1,1-difluoroethyl)pyrimidin-2-yl]butan-2-yl]-N-ethyl-2-fluoro-6-(triazol-2-yl)benzamide;N-[(2S)-4-[5-(1,1-difluoroethyl)pyrimidin-2-yl]butan-2-yl]-N-ethyl-4-fluoro-2-(triazol-2-yl)benzamide;N-[(2S)-4-[5-(1,1-difluoroethyl)pyrimidin-2-yl]butan-2-yl]-N-ethyl-5-fluoro-2-(triazol-2-yl)benzamide;N-[(2S)-4-[5-(1,1-difluoroethyl)pyrimidin-2-yl]butan-2-yl]-N-ethyl-2-(triazol-2-yl)benzamide
CID 159080574
N-[4-chloro-2-[(2S)-2-[6-methyl-5-[(3S)-3-(methylamino)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]phenyl]-2,2-difluoroacetamide;3-[4-chloro-2-[(2S)-2-[6-methyl-5-[(3S)-3-(methylamino)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]phenyl]-1,1-dimethylurea;(4,6-dimethyl-2-pyridinyl)-[(2S)-2-[6-methyl-5-[(3S)-3-(methylamino)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;[(2S)-2-[6-methyl-5-[(3S)-3-(methylamino)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-[6-(trifluoromethyl)-2-pyridinyl]methanone
CID 159361405

Frequently Asked Questions

What is the IUPAC name of [(2S,3R)-3-[(5-chloro-2-pyridinyl)amino]-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone;[4-methyl-2-(triazol-2-yl)phenyl]-[(2S,3R)-2-methyl-3-[5-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]methanone;[5-methyl-3-(triazol-2-yl)-2-pyridinyl]-[(2S,3R)-2-methyl-3-[5-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]methanone;[6-methyl-3-(triazol-2-yl)-2-pyridinyl]-[(2S,3R)-2-methyl-3-[5-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]methanone;[(2S,3R)-2-methyl-3-[5-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone?
The IUPAC name of [(2S,3R)-3-[(5-chloro-2-pyridinyl)amino]-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone;[4-methyl-2-(triazol-2-yl)phenyl]-[(2S,3R)-2-methyl-3-[5-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]methanone;[5-methyl-3-(triazol-2-yl)-2-pyridinyl]-[(2S,3R)-2-methyl-3-[5-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]methanone;[6-methyl-3-(triazol-2-yl)-2-pyridinyl]-[(2S,3R)-2-methyl-3-[5-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]methanone;[(2S,3R)-2-methyl-3-[5-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone (CID 161019399) is [(2S,3R)-3-[(5-chloro-2-pyridinyl)amino]-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone;[4-methyl-2-(triazol-2-yl)phenyl]-[(2S,3R)-2-methyl-3-[5-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]methanone;[5-methyl-3-(triazol-2-yl)-2-pyridinyl]-[(2S,3R)-2-methyl-3-[5-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]methanone;[6-methyl-3-(triazol-2-yl)-2-pyridinyl]-[(2S,3R)-2-methyl-3-[5-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]methanone;[(2S,3R)-2-methyl-3-[5-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone.
What is the SMILES notation for [(2S,3R)-3-[(5-chloro-2-pyridinyl)amino]-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone;[4-methyl-2-(triazol-2-yl)phenyl]-[(2S,3R)-2-methyl-3-[5-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]methanone;[5-methyl-3-(triazol-2-yl)-2-pyridinyl]-[(2S,3R)-2-methyl-3-[5-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]methanone;[6-methyl-3-(triazol-2-yl)-2-pyridinyl]-[(2S,3R)-2-methyl-3-[5-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]methanone;[(2S,3R)-2-methyl-3-[5-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone?
The canonical SMILES for [(2S,3R)-3-[(5-chloro-2-pyridinyl)amino]-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone;[4-methyl-2-(triazol-2-yl)phenyl]-[(2S,3R)-2-methyl-3-[5-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]methanone;[5-methyl-3-(triazol-2-yl)-2-pyridinyl]-[(2S,3R)-2-methyl-3-[5-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]methanone;[6-methyl-3-(triazol-2-yl)-2-pyridinyl]-[(2S,3R)-2-methyl-3-[5-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]methanone;[(2S,3R)-2-methyl-3-[5-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone is C[C@H]1[C@H](Nc2ccc(Cl)cn2)CCCN1C(=O)c1ccccc1-n1nccn1.C[C@H]1[C@H](Oc2ncc(C(F)(F)F)cn2)CCCN1C(=O)c1ccccc1-n1nccn1.Cc1ccc(-n2nccn2)c(C(=O)N2CCC[C@@H](Oc3ncc(C(F)(F)F)cn3)[C@@H]2C)n1.Cc1ccc(C(=O)N2CCC[C@@H](Oc3ncc(C(F)(F)F)cn3)[C@@H]2C)c(-n2nccn2)c1.Cc1cnc(C(=O)N2CCC[C@@H](Oc3ncc(C(F)(F)F)cn3)[C@@H]2C)c(-n2nccn2)c1.
What is the InChIKey of [(2S,3R)-3-[(5-chloro-2-pyridinyl)amino]-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone;[4-methyl-2-(triazol-2-yl)phenyl]-[(2S,3R)-2-methyl-3-[5-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]methanone;[5-methyl-3-(triazol-2-yl)-2-pyridinyl]-[(2S,3R)-2-methyl-3-[5-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]methanone;[6-methyl-3-(triazol-2-yl)-2-pyridinyl]-[(2S,3R)-2-methyl-3-[5-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]methanone;[(2S,3R)-2-methyl-3-[5-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone?
The InChIKey is TYDXNXCBTVZIHZ-MUJPCWBTSA-N. The full InChI is InChI=1S/C21H21F3N6O2.C20H21ClN6O.2C20H20F3N7O2.C20H19F3N6O2/c1-13-5-6-16(17(10-13)30-27-7-8-28-30)19(31)29-9-3-4-18(14(29)2)32-20-25-11-15(12-26-20)21(22,23)24;1-14-17(25-19-9-8-15(21)13-22-19)6-4-12-26(14)20(28)16-5-2-3-7-18(16)27-23-10-11-24-27;1-12-5-6-15(30-26-7-8-27-30)17(28-12)18(31)29-9-3-4-16(13(29)2)32-19-24-10-14(11-25-19)20(21,22)23;1-12-8-15(30-27-5-6-28-30)17(24-9-12)18(31)29-7-3-4-16(13(29)2)32-19-25-10-14(11-26-19)20(21,22)23;1-13-17(31-19-24-11-14(12-25-19)20(21,22)23)7-4-10-28(13)18(30)15-5-2-3-6-16(15)29-26-8-9-27-29/h5-8,10-12,14,18H,3-4,9H2,1-2H3;2-3,5,7-11,13-14,17H,4,6,12H2,1H3,(H,22,25);5-8,10-11,13,16H,3-4,9H2,1-2H3;5-6,8-11,13,16H,3-4,7H2,1-2H3;2-3,5-6,8-9,11-13,17H,4,7,10H2,1H3/t14-,18+;14-,17+;2*13-,16+;13-,17+/m00000/s1.
What are the key properties of [(2S,3R)-3-[(5-chloro-2-pyridinyl)amino]-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone;[4-methyl-2-(triazol-2-yl)phenyl]-[(2S,3R)-2-methyl-3-[5-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]methanone;[5-methyl-3-(triazol-2-yl)-2-pyridinyl]-[(2S,3R)-2-methyl-3-[5-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]methanone;[6-methyl-3-(triazol-2-yl)-2-pyridinyl]-[(2S,3R)-2-methyl-3-[5-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]methanone;[(2S,3R)-2-methyl-3-[5-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone?
[(2S,3R)-3-[(5-chloro-2-pyridinyl)amino]-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone;[4-methyl-2-(triazol-2-yl)phenyl]-[(2S,3R)-2-methyl-3-[5-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]methanone;[5-methyl-3-(triazol-2-yl)-2-pyridinyl]-[(2S,3R)-2-methyl-3-[5-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]methanone;[6-methyl-3-(triazol-2-yl)-2-pyridinyl]-[(2S,3R)-2-methyl-3-[5-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]methanone;[(2S,3R)-2-methyl-3-[5-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone has a molecular weight of 2170.56 g/mol, XLogP of 15.73, 20 rotatable bonds, 1 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3R)-3-[(5-chloro-2-pyridinyl)amino]-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone;[4-methyl-2-(triazol-2-yl)phenyl]-[(2S,3R)-2-methyl-3-[5-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]methanone;[5-methyl-3-(triazol-2-yl)-2-pyridinyl]-[(2S,3R)-2-methyl-3-[5-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]methanone;[6-methyl-3-(triazol-2-yl)-2-pyridinyl]-[(2S,3R)-2-methyl-3-[5-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]methanone;[(2S,3R)-2-methyl-3-[5-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone is sourced from PubChem (CID 161019399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).