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

C66H61ClF10N16O6 — CID 158855781

IUPAC[(2S,3R)-3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]-[6-methyl-2-(triazol-2-yl)-3-pyridinyl]methanone;[(2S,3R)-3-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]-(3-pyrimidin-2-yl-2-pyridinyl)methanone;(4-methyl-3-pyrimidin-2-yl-2-pyridinyl)-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone
SMILESC[C@H]1[C@H](Oc2ncc(C(F)(F)F)cc2F)CCCN1C(=O)c1ncccc1-c1ncccn1.Cc1ccc(C(=O)N2CCC[C@@H](Oc3ncc(C(F)(F)F)cc3Cl)[C@@H]2C)c(-n2nccn2)n1.Cc1ccnc(C(=O)N2CCC[C@@H](Oc3ccc(C(F)(F)F)cn3)[C@@H]2C)c1-c1ncccn1
InChIInChI=1S/C23H22F3N5O2.C22H19F4N5O2.C21H20ClF3N6O2/c1-14-8-11-27-20(19(14)21-28-9-4-10-29-21)22(32)31-12-3-5-17(15(31)2)33-18-7-6-16(13-30-18)23(24,25)26;1-13-17(33-20-16(23)11-14(12-30-20)22(24,25)26)6-3-10-31(13)21(32)18-15(5-2-7-27-18)19-28-8-4-9-29-19;1-12-5-6-15(18(29-12)31-27-7-8-28-31)20(32)30-9-3-4-17(13(30)2)33-19-16(22)10-14(11-26-19)21(23,24)25/h4,6-11,13,15,17H,3,5,12H2,1-2H3;2,4-5,7-9,11-13,17H,3,6,10H2,1H3;5-8,10-11,13,17H,3-4,9H2,1-2H3/t15-,17+;2*13-,17+/m000/s1
InChIKeyJAALUOUWXYIXTO-QHSLXNCKSA-N
MW1399.75 g/mol
LogP12.61
Rot. Bonds12

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

[(2S,3R)-3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]-[6-methyl-2-(triazol-2-yl)-3-pyridinyl]methanone;[(2S,3R)-3-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]-(3-pyrimidin-2-yl-2-pyridinyl)methanone;(4-methyl-3-pyrimidin-2-yl-2-pyridinyl)-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone (PubChem CID 158855781) has the molecular formula C66H61ClF10N16O6 and a molecular weight of 1399.75 g/mol. Its IUPAC name is [(2S,3R)-3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]-[6-methyl-2-(triazol-2-yl)-3-pyridinyl]methanone;[(2S,3R)-3-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]-(3-pyrimidin-2-yl-2-pyridinyl)methanone;(4-methyl-3-pyrimidin-2-yl-2-pyridinyl)-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone.

Molecular Properties

Compound Name[(2S,3R)-3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]-[6-methyl-2-(triazol-2-yl)-3-pyridinyl]methanone;[(2S,3R)-3-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]-(3-pyrimidin-2-yl-2-pyridinyl)methanone;(4-methyl-3-pyrimidin-2-yl-2-pyridinyl)-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone
PubChem CID158855781
Molecular FormulaC66H61ClF10N16O6
Molecular Weight1399.75 g/mol
Exact Mass1398.45
IUPAC Name[(2S,3R)-3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]-[6-methyl-2-(triazol-2-yl)-3-pyridinyl]methanone;[(2S,3R)-3-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]-(3-pyrimidin-2-yl-2-pyridinyl)methanone;(4-methyl-3-pyrimidin-2-yl-2-pyridinyl)-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone
SMILESC[C@H]1[C@H](Oc2ncc(C(F)(F)F)cc2F)CCCN1C(=O)c1ncccc1-c1ncccn1.Cc1ccc(C(=O)N2CCC[C@@H](Oc3ncc(C(F)(F)F)cc3Cl)[C@@H]2C)c(-n2nccn2)n1.Cc1ccnc(C(=O)N2CCC[C@@H](Oc3ccc(C(F)(F)F)cn3)[C@@H]2C)c1-c1ncccn1
InChIInChI=1S/C23H22F3N5O2.C22H19F4N5O2.C21H20ClF3N6O2/c1-14-8-11-27-20(19(14)21-28-9-4-10-29-21)22(32)31-12-3-5-17(15(31)2)33-18-7-6-16(13-30-18)23(24,25)26;1-13-17(33-20-16(23)11-14(12-30-20)22(24,25)26)6-3-10-31(13)21(32)18-15(5-2-7-27-18)19-28-8-4-9-29-19;1-12-5-6-15(18(29-12)31-27-7-8-28-31)20(32)30-9-3-4-17(13(30)2)33-19-16(22)10-14(11-26-19)21(23,24)25/h4,6-11,13,15,17H,3,5,12H2,1-2H3;2,4-5,7-9,11-13,17H,3,6,10H2,1H3;5-8,10-11,13,17H,3-4,9H2,1-2H3/t15-,17+;2*13-,17+/m000/s1
InChIKeyJAALUOUWXYIXTO-QHSLXNCKSA-N
XLogP12.61
TPSA248.23 Ų
H-Bond Donors
H-Bond Acceptors19
Rotatable Bonds12
Heavy Atoms99
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001399.75
LogP ≤ 512.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1019

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

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Launch Full Analysis

Related Compounds

[(2S,3R)-3-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy-2-methylpiperidin-1-yl]-[6-methyl-2-(triazol-2-yl)pyridin-3-yl]methanone
CID 117630002
[(2S,3R)-3-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy-2-methylpiperidin-1-yl]-(3-pyrimidin-2-ylpyridin-2-yl)methanone
CID 117630105
[(2S,3R)-3-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy-2-methylpiperidin-1-yl]-(5-methyl-3-pyrimidin-2-ylpyridin-2-yl)methanone
CID 117630120
[(2S,3R)-3-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy-2-methylpiperidin-1-yl]-[5-methyl-2-(triazol-2-yl)pyridin-3-yl]methanone
CID 117630317
[(1S,4R,6R)-6-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.2]octan-2-yl]-[5-methyl-2-(triazol-2-yl)-3-pyridinyl]methanone
CID 117630449
[(1S,4R,6R)-6-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.2]octan-2-yl]-(5-methyl-2-pyrimidin-2-yl-3-pyridinyl)methanone
CID 117630579
[(2S,3R)-3-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy-2-methylpiperidin-1-yl]-(6-methyl-3-pyrimidin-2-ylpyridin-2-yl)methanone
CID 117630976
[(1S,4R,6R)-6-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.2]octan-2-yl]-(5-methyl-3-pyrimidin-2-yl-2-pyridinyl)methanone
CID 117631147
[(2S,3R)-3-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy-2-methylpiperidin-1-yl]-(5-methyl-2-pyrimidin-2-ylpyridin-3-yl)methanone
CID 117636025
[6-[3-Chloro-5-(trifluoromethyl)pyridin-2-yl]oxy-2-azabicyclo[2.2.2]octan-2-yl]-(5-methyl-3-pyrimidin-2-ylpyridin-2-yl)methanone
CID 117637547
[6-[3-Chloro-5-(trifluoromethyl)pyridin-2-yl]oxy-2-azabicyclo[2.2.2]octan-2-yl]-[5-methyl-2-(triazol-2-yl)pyridin-3-yl]methanone
CID 117637707
[6-[3-Chloro-5-(trifluoromethyl)pyridin-2-yl]oxy-2-azabicyclo[2.2.2]octan-2-yl]-(5-methyl-2-pyrimidin-2-ylpyridin-3-yl)methanone
CID 117637732

Frequently Asked Questions

What is the IUPAC name of [(2S,3R)-3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]-[6-methyl-2-(triazol-2-yl)-3-pyridinyl]methanone;[(2S,3R)-3-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]-(3-pyrimidin-2-yl-2-pyridinyl)methanone;(4-methyl-3-pyrimidin-2-yl-2-pyridinyl)-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone?
The IUPAC name of [(2S,3R)-3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]-[6-methyl-2-(triazol-2-yl)-3-pyridinyl]methanone;[(2S,3R)-3-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]-(3-pyrimidin-2-yl-2-pyridinyl)methanone;(4-methyl-3-pyrimidin-2-yl-2-pyridinyl)-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone (CID 158855781) is [(2S,3R)-3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]-[6-methyl-2-(triazol-2-yl)-3-pyridinyl]methanone;[(2S,3R)-3-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]-(3-pyrimidin-2-yl-2-pyridinyl)methanone;(4-methyl-3-pyrimidin-2-yl-2-pyridinyl)-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone.
What is the SMILES notation for [(2S,3R)-3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]-[6-methyl-2-(triazol-2-yl)-3-pyridinyl]methanone;[(2S,3R)-3-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]-(3-pyrimidin-2-yl-2-pyridinyl)methanone;(4-methyl-3-pyrimidin-2-yl-2-pyridinyl)-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone?
The canonical SMILES for [(2S,3R)-3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]-[6-methyl-2-(triazol-2-yl)-3-pyridinyl]methanone;[(2S,3R)-3-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]-(3-pyrimidin-2-yl-2-pyridinyl)methanone;(4-methyl-3-pyrimidin-2-yl-2-pyridinyl)-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone is C[C@H]1[C@H](Oc2ncc(C(F)(F)F)cc2F)CCCN1C(=O)c1ncccc1-c1ncccn1.Cc1ccc(C(=O)N2CCC[C@@H](Oc3ncc(C(F)(F)F)cc3Cl)[C@@H]2C)c(-n2nccn2)n1.Cc1ccnc(C(=O)N2CCC[C@@H](Oc3ccc(C(F)(F)F)cn3)[C@@H]2C)c1-c1ncccn1.
What is the InChIKey of [(2S,3R)-3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]-[6-methyl-2-(triazol-2-yl)-3-pyridinyl]methanone;[(2S,3R)-3-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]-(3-pyrimidin-2-yl-2-pyridinyl)methanone;(4-methyl-3-pyrimidin-2-yl-2-pyridinyl)-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone?
The InChIKey is JAALUOUWXYIXTO-QHSLXNCKSA-N. The full InChI is InChI=1S/C23H22F3N5O2.C22H19F4N5O2.C21H20ClF3N6O2/c1-14-8-11-27-20(19(14)21-28-9-4-10-29-21)22(32)31-12-3-5-17(15(31)2)33-18-7-6-16(13-30-18)23(24,25)26;1-13-17(33-20-16(23)11-14(12-30-20)22(24,25)26)6-3-10-31(13)21(32)18-15(5-2-7-27-18)19-28-8-4-9-29-19;1-12-5-6-15(18(29-12)31-27-7-8-28-31)20(32)30-9-3-4-17(13(30)2)33-19-16(22)10-14(11-26-19)21(23,24)25/h4,6-11,13,15,17H,3,5,12H2,1-2H3;2,4-5,7-9,11-13,17H,3,6,10H2,1H3;5-8,10-11,13,17H,3-4,9H2,1-2H3/t15-,17+;2*13-,17+/m000/s1.
What are the key properties of [(2S,3R)-3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]-[6-methyl-2-(triazol-2-yl)-3-pyridinyl]methanone;[(2S,3R)-3-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]-(3-pyrimidin-2-yl-2-pyridinyl)methanone;(4-methyl-3-pyrimidin-2-yl-2-pyridinyl)-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone?
[(2S,3R)-3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]-[6-methyl-2-(triazol-2-yl)-3-pyridinyl]methanone;[(2S,3R)-3-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]-(3-pyrimidin-2-yl-2-pyridinyl)methanone;(4-methyl-3-pyrimidin-2-yl-2-pyridinyl)-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone has a molecular weight of 1399.75 g/mol, XLogP of 12.61, 12 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3R)-3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]-[6-methyl-2-(triazol-2-yl)-3-pyridinyl]methanone;[(2S,3R)-3-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]-(3-pyrimidin-2-yl-2-pyridinyl)methanone;(4-methyl-3-pyrimidin-2-yl-2-pyridinyl)-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone is sourced from PubChem (CID 158855781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).