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

C61H60F9N19O6 — CID 157320172

IUPAC[4-methyl-2-(triazol-2-yl)phenyl]-[(2S,3R)-2-methyl-3-[5-(trifluoromethyl)pyrazin-2-yl]oxypiperidin-1-yl]methanone;[6-methyl-3-(triazol-2-yl)-2-pyridinyl]-[(2S,3R)-2-methyl-3-[5-(trifluoromethyl)pyrazin-2-yl]oxypiperidin-1-yl]methanone;[(2S,3R)-2-methyl-3-[5-(trifluoromethyl)pyrazin-2-yl]oxypiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone
SMILESC[C@H]1[C@H](Oc2cnc(C(F)(F)F)cn2)CCCN1C(=O)c1ccccc1-n1nccn1.Cc1ccc(-n2nccn2)c(C(=O)N2CCC[C@@H](Oc3cnc(C(F)(F)F)cn3)[C@@H]2C)n1.Cc1ccc(C(=O)N2CCC[C@@H](Oc3cnc(C(F)(F)F)cn3)[C@@H]2C)c(-n2nccn2)c1
InChIInChI=1S/C21H21F3N6O2.C20H20F3N7O2.C20H19F3N6O2/c1-13-5-6-15(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;1-12-5-6-14(30-26-7-8-27-30)18(28-12)19(31)29-9-3-4-15(13(29)2)32-17-11-24-16(10-25-17)20(21,22)23;1-13-16(31-18-12-24-17(11-25-18)20(21,22)23)7-4-10-28(13)19(30)14-5-2-3-6-15(14)29-26-8-9-27-29/h5-8,10-12,14,17H,3-4,9H2,1-2H3;5-8,10-11,13,15H,3-4,9H2,1-2H3;2-3,5-6,8-9,11-13,16H,4,7,10H2,1H3/t14-,17+;13-,15+;13-,16+/m000/s1
InChIKeyBEBLOQDKGSQANH-DZDLCSFGSA-N
MW1326.26 g/mol
LogP9.46
Rot. Bonds12

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

[4-methyl-2-(triazol-2-yl)phenyl]-[(2S,3R)-2-methyl-3-[5-(trifluoromethyl)pyrazin-2-yl]oxypiperidin-1-yl]methanone;[6-methyl-3-(triazol-2-yl)-2-pyridinyl]-[(2S,3R)-2-methyl-3-[5-(trifluoromethyl)pyrazin-2-yl]oxypiperidin-1-yl]methanone;[(2S,3R)-2-methyl-3-[5-(trifluoromethyl)pyrazin-2-yl]oxypiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone (PubChem CID 157320172) has the molecular formula C61H60F9N19O6 and a molecular weight of 1326.26 g/mol. Its IUPAC name is [4-methyl-2-(triazol-2-yl)phenyl]-[(2S,3R)-2-methyl-3-[5-(trifluoromethyl)pyrazin-2-yl]oxypiperidin-1-yl]methanone;[6-methyl-3-(triazol-2-yl)-2-pyridinyl]-[(2S,3R)-2-methyl-3-[5-(trifluoromethyl)pyrazin-2-yl]oxypiperidin-1-yl]methanone;[(2S,3R)-2-methyl-3-[5-(trifluoromethyl)pyrazin-2-yl]oxypiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone.

Molecular Properties

Compound Name[4-methyl-2-(triazol-2-yl)phenyl]-[(2S,3R)-2-methyl-3-[5-(trifluoromethyl)pyrazin-2-yl]oxypiperidin-1-yl]methanone;[6-methyl-3-(triazol-2-yl)-2-pyridinyl]-[(2S,3R)-2-methyl-3-[5-(trifluoromethyl)pyrazin-2-yl]oxypiperidin-1-yl]methanone;[(2S,3R)-2-methyl-3-[5-(trifluoromethyl)pyrazin-2-yl]oxypiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone
PubChem CID157320172
Molecular FormulaC61H60F9N19O6
Molecular Weight1326.26 g/mol
Exact Mass1325.48
IUPAC Name[4-methyl-2-(triazol-2-yl)phenyl]-[(2S,3R)-2-methyl-3-[5-(trifluoromethyl)pyrazin-2-yl]oxypiperidin-1-yl]methanone;[6-methyl-3-(triazol-2-yl)-2-pyridinyl]-[(2S,3R)-2-methyl-3-[5-(trifluoromethyl)pyrazin-2-yl]oxypiperidin-1-yl]methanone;[(2S,3R)-2-methyl-3-[5-(trifluoromethyl)pyrazin-2-yl]oxypiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone
SMILESC[C@H]1[C@H](Oc2cnc(C(F)(F)F)cn2)CCCN1C(=O)c1ccccc1-n1nccn1.Cc1ccc(-n2nccn2)c(C(=O)N2CCC[C@@H](Oc3cnc(C(F)(F)F)cn3)[C@@H]2C)n1.Cc1ccc(C(=O)N2CCC[C@@H](Oc3cnc(C(F)(F)F)cn3)[C@@H]2C)c(-n2nccn2)c1
InChIInChI=1S/C21H21F3N6O2.C20H20F3N7O2.C20H19F3N6O2/c1-13-5-6-15(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;1-12-5-6-14(30-26-7-8-27-30)18(28-12)19(31)29-9-3-4-15(13(29)2)32-17-11-24-16(10-25-17)20(21,22)23;1-13-16(31-18-12-24-17(11-25-18)20(21,22)23)7-4-10-28(13)19(30)14-5-2-3-6-15(14)29-26-8-9-27-29/h5-8,10-12,14,17H,3-4,9H2,1-2H3;5-8,10-11,13,15H,3-4,9H2,1-2H3;2-3,5-6,8-9,11-13,16H,4,7,10H2,1H3/t14-,17+;13-,15+;13-,16+/m000/s1
InChIKeyBEBLOQDKGSQANH-DZDLCSFGSA-N
XLogP9.46
TPSA270.98 Ų
H-Bond Donors
H-Bond Acceptors22
Rotatable Bonds12
Heavy Atoms95
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001326.26
LogP ≤ 59.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1022

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

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Related Compounds

(4,4-Difluoro-3-quinoxalin-2-yloxypiperidin-1-yl)-[2-(triazol-2-yl)phenyl]methanone
CID 90298382
US9611277, Example 77
CID 86271133
[6-Methyl-3-(triazol-2-yl)pyridin-2-yl]-[6-[5-(trifluoromethyl)pyrazin-2-yl]oxy-2-azabicyclo[2.2.1]heptan-2-yl]methanone
CID 86271695
[5-Methyl-3-(triazol-2-yl)pyridin-2-yl]-[6-[5-(trifluoromethyl)pyrazin-2-yl]oxy-2-azabicyclo[2.2.1]heptan-2-yl]methanone
CID 86271696
(3-fluoro-2-(2H-1,2,3-triazol-2-yl)phenyl)((2S,3R)-2-methyl-3-((5-(trifluoromethyl)pyrazin-2-yl)oxy)piperidin-1-yl)methanone
CID 90404312
(2-(2H-1,2,3-triazol-2-yl)phenyl)((2S,3R)-2-methyl-3-((5-(trifluoromethyl)pyrazin-2-yl)oxy)piperidin-1-yl)methanone
CID 90404530
(4-methyl-2-(2H-1,2,3-triazol-2-yl)phenyl)((2S,3R)-2-methyl-3-((5-(trifluoromethyl)pyrazin-2-yl)oxy)piperidin-1-yl)methanone
CID 90405395
((2S,3R)-2-methyl-3-((5-(trifluoromethyl)pyrazin-2-yl)oxy)piperidin-1-yl)(5-methyl-3-(2H-1,2,3-triazol-2-yl)pyridin-2-yl)methanone
CID 90405814
[4-methyl-2-(triazol-2-yl)phenyl]-[(1S,2R,4R)-2-[5-(trifluoromethyl)pyrazin-2-yl]oxy-7-azabicyclo[2.2.1]heptan-7-yl]methanone
CID 90412480
[6-methyl-3-(triazol-2-yl)-2-pyridinyl]-[(1S,6R)-6-[5-(trifluoromethyl)pyrazin-2-yl]oxy-2-azabicyclo[2.2.1]heptan-2-yl]methanone
CID 90413924
[6-methyl-3-(triazol-2-yl)pyridin-2-yl]-[(1S,4R,6R)-6-[5-(trifluoromethyl)pyrazin-2-yl]oxy-2-azabicyclo[2.2.2]octan-2-yl]methanone
CID 90413955
[4-Methyl-2-(triazol-2-yl)phenyl]-[2-[5-(trifluoromethyl)pyrazin-2-yl]oxy-7-azabicyclo[2.2.1]heptan-7-yl]methanone
CID 90442529

Frequently Asked Questions

What is the IUPAC name of [4-methyl-2-(triazol-2-yl)phenyl]-[(2S,3R)-2-methyl-3-[5-(trifluoromethyl)pyrazin-2-yl]oxypiperidin-1-yl]methanone;[6-methyl-3-(triazol-2-yl)-2-pyridinyl]-[(2S,3R)-2-methyl-3-[5-(trifluoromethyl)pyrazin-2-yl]oxypiperidin-1-yl]methanone;[(2S,3R)-2-methyl-3-[5-(trifluoromethyl)pyrazin-2-yl]oxypiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone?
The IUPAC name of [4-methyl-2-(triazol-2-yl)phenyl]-[(2S,3R)-2-methyl-3-[5-(trifluoromethyl)pyrazin-2-yl]oxypiperidin-1-yl]methanone;[6-methyl-3-(triazol-2-yl)-2-pyridinyl]-[(2S,3R)-2-methyl-3-[5-(trifluoromethyl)pyrazin-2-yl]oxypiperidin-1-yl]methanone;[(2S,3R)-2-methyl-3-[5-(trifluoromethyl)pyrazin-2-yl]oxypiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone (CID 157320172) is [4-methyl-2-(triazol-2-yl)phenyl]-[(2S,3R)-2-methyl-3-[5-(trifluoromethyl)pyrazin-2-yl]oxypiperidin-1-yl]methanone;[6-methyl-3-(triazol-2-yl)-2-pyridinyl]-[(2S,3R)-2-methyl-3-[5-(trifluoromethyl)pyrazin-2-yl]oxypiperidin-1-yl]methanone;[(2S,3R)-2-methyl-3-[5-(trifluoromethyl)pyrazin-2-yl]oxypiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone.
What is the SMILES notation for [4-methyl-2-(triazol-2-yl)phenyl]-[(2S,3R)-2-methyl-3-[5-(trifluoromethyl)pyrazin-2-yl]oxypiperidin-1-yl]methanone;[6-methyl-3-(triazol-2-yl)-2-pyridinyl]-[(2S,3R)-2-methyl-3-[5-(trifluoromethyl)pyrazin-2-yl]oxypiperidin-1-yl]methanone;[(2S,3R)-2-methyl-3-[5-(trifluoromethyl)pyrazin-2-yl]oxypiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone?
The canonical SMILES for [4-methyl-2-(triazol-2-yl)phenyl]-[(2S,3R)-2-methyl-3-[5-(trifluoromethyl)pyrazin-2-yl]oxypiperidin-1-yl]methanone;[6-methyl-3-(triazol-2-yl)-2-pyridinyl]-[(2S,3R)-2-methyl-3-[5-(trifluoromethyl)pyrazin-2-yl]oxypiperidin-1-yl]methanone;[(2S,3R)-2-methyl-3-[5-(trifluoromethyl)pyrazin-2-yl]oxypiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone is C[C@H]1[C@H](Oc2cnc(C(F)(F)F)cn2)CCCN1C(=O)c1ccccc1-n1nccn1.Cc1ccc(-n2nccn2)c(C(=O)N2CCC[C@@H](Oc3cnc(C(F)(F)F)cn3)[C@@H]2C)n1.Cc1ccc(C(=O)N2CCC[C@@H](Oc3cnc(C(F)(F)F)cn3)[C@@H]2C)c(-n2nccn2)c1.
What is the InChIKey of [4-methyl-2-(triazol-2-yl)phenyl]-[(2S,3R)-2-methyl-3-[5-(trifluoromethyl)pyrazin-2-yl]oxypiperidin-1-yl]methanone;[6-methyl-3-(triazol-2-yl)-2-pyridinyl]-[(2S,3R)-2-methyl-3-[5-(trifluoromethyl)pyrazin-2-yl]oxypiperidin-1-yl]methanone;[(2S,3R)-2-methyl-3-[5-(trifluoromethyl)pyrazin-2-yl]oxypiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone?
The InChIKey is BEBLOQDKGSQANH-DZDLCSFGSA-N. The full InChI is InChI=1S/C21H21F3N6O2.C20H20F3N7O2.C20H19F3N6O2/c1-13-5-6-15(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;1-12-5-6-14(30-26-7-8-27-30)18(28-12)19(31)29-9-3-4-15(13(29)2)32-17-11-24-16(10-25-17)20(21,22)23;1-13-16(31-18-12-24-17(11-25-18)20(21,22)23)7-4-10-28(13)19(30)14-5-2-3-6-15(14)29-26-8-9-27-29/h5-8,10-12,14,17H,3-4,9H2,1-2H3;5-8,10-11,13,15H,3-4,9H2,1-2H3;2-3,5-6,8-9,11-13,16H,4,7,10H2,1H3/t14-,17+;13-,15+;13-,16+/m000/s1.
What are the key properties of [4-methyl-2-(triazol-2-yl)phenyl]-[(2S,3R)-2-methyl-3-[5-(trifluoromethyl)pyrazin-2-yl]oxypiperidin-1-yl]methanone;[6-methyl-3-(triazol-2-yl)-2-pyridinyl]-[(2S,3R)-2-methyl-3-[5-(trifluoromethyl)pyrazin-2-yl]oxypiperidin-1-yl]methanone;[(2S,3R)-2-methyl-3-[5-(trifluoromethyl)pyrazin-2-yl]oxypiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone?
[4-methyl-2-(triazol-2-yl)phenyl]-[(2S,3R)-2-methyl-3-[5-(trifluoromethyl)pyrazin-2-yl]oxypiperidin-1-yl]methanone;[6-methyl-3-(triazol-2-yl)-2-pyridinyl]-[(2S,3R)-2-methyl-3-[5-(trifluoromethyl)pyrazin-2-yl]oxypiperidin-1-yl]methanone;[(2S,3R)-2-methyl-3-[5-(trifluoromethyl)pyrazin-2-yl]oxypiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone has a molecular weight of 1326.26 g/mol, XLogP of 9.46, 12 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-2-(triazol-2-yl)phenyl]-[(2S,3R)-2-methyl-3-[5-(trifluoromethyl)pyrazin-2-yl]oxypiperidin-1-yl]methanone;[6-methyl-3-(triazol-2-yl)-2-pyridinyl]-[(2S,3R)-2-methyl-3-[5-(trifluoromethyl)pyrazin-2-yl]oxypiperidin-1-yl]methanone;[(2S,3R)-2-methyl-3-[5-(trifluoromethyl)pyrazin-2-yl]oxypiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone is sourced from PubChem (CID 157320172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).