[(2S,3R)-3-(5-chloropyrimidin-2-yl)oxy-2-methylpiperidin-1-yl]-[3-fluoro-2-(triazol-2-yl)phenyl]methanone;[3-fluoro-2-(triazol-2-yl)phenyl]-[(2S,3R)-3-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]methanone;[(2S,3R)-3-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]-[3-methyl-2-(triazol-2-yl)phenyl]methanone;[(2S,3R)-3-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]-[6-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone

C83H77ClF14N22O8 — CID 159135445

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

[(2S,3R)-3-(5-chloropyrimidin-2-yl)oxy-2-methylpiperidin-1-yl]-[3-fluoro-2-(triazol-2-yl)phenyl]methanone;[3-fluoro-2-(triazol-2-yl)phenyl]-[(2S,3R)-3-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]methanone;[(2S,3R)-3-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]-[3-methyl-2-(triazol-2-yl)phenyl]methanone;[(2S,3R)-3-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]-[6-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone (PubChem CID 159135445) has the molecular formula C83H77ClF14N22O8 and a molecular weight of 1812.10 g/mol. Its IUPAC name is [(2S,3R)-3-(5-chloropyrimidin-2-yl)oxy-2-methylpiperidin-1-yl]-[3-fluoro-2-(triazol-2-yl)phenyl]methanone;[3-fluoro-2-(triazol-2-yl)phenyl]-[(2S,3R)-3-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]methanone;[(2S,3R)-3-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]-[3-methyl-2-(triazol-2-yl)phenyl]methanone;[(2S,3R)-3-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]-[6-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone.

Molecular Properties

• Compound Name: [(2S,3R)-3-(5-chloropyrimidin-2-yl)oxy-2-methylpiperidin-1-yl]-[3-fluoro-2-(triazol-2-yl)phenyl]methanone;[3-fluoro-2-(triazol-2-yl)phenyl]-[(2S,3R)-3-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]methanone;[(2S,3R)-3-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]-[3-methyl-2-(triazol-2-yl)phenyl]methanone;[(2S,3R)-3-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]-[6-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone
• PubChem CID: 159135445
• Molecular Formula: C83H77ClF14N22O8
• Molecular Weight: 1812.10 g/mol
• Exact Mass: 1810.58
• IUPAC Name: [(2S,3R)-3-(5-chloropyrimidin-2-yl)oxy-2-methylpiperidin-1-yl]-[3-fluoro-2-(triazol-2-yl)phenyl]methanone;[3-fluoro-2-(triazol-2-yl)phenyl]-[(2S,3R)-3-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]methanone;[(2S,3R)-3-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]-[3-methyl-2-(triazol-2-yl)phenyl]methanone;[(2S,3R)-3-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]-[6-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone
• SMILES: C[C@H]1[C@H](Oc2ncc(C(F)(F)F)cc2F)CCCN1C(=O)c1cccc(F)c1-n1nccn1.C[C@H]1[C@H](Oc2ncc(Cl)cn2)CCCN1C(=O)c1cccc(F)c1-n1nccn1.Cc1ccc(-n2nccn2)c(C(=O)N2CCC[C@@H](Oc3ncc(C(F)(F)F)cc3F)[C@@H]2C)n1.Cc1cccc(C(=O)N2CCC[C@@H](Oc3ncc(C(F)(F)F)cc3F)[C@@H]2C)c1-n1nccn1
• InChI: InChI=1S/C22H21F4N5O2.C21H18F5N5O2.C21H20F4N6O2.C19H18ClFN6O2/c1-13-5-3-6-16(19(13)31-28-8-9-29-31)21(32)30-10-4-7-18(14(30)2)33-20-17(23)11-15(12-27-20)22(24,25)26;1-12-17(33-19-16(23)10-13(11-27-19)21(24,25)26)6-3-9-30(12)20(32)14-4-2-5-15(22)18(14)31-28-7-8-29-31;1-12-5-6-16(31-27-7-8-28-31)18(29-12)20(32)30-9-3-4-17(13(30)2)33-19-15(22)10-14(11-26-19)21(23,24)25;1-12-16(29-19-22-10-13(20)11-23-19)6-3-9-26(12)18(28)14-4-2-5-15(21)17(14)27-24-7-8-25-27/h3,5-6,8-9,11-12,14,18H,4,7,10H2,1-2H3;2,4-5,7-8,10-12,17H,3,6,9H2,1H3;5-8,10-11,13,17H,3-4,9H2,1-2H3;2,4-5,7-8,10-12,16H,3,6,9H2,1H3/t14-,18+;12-,17+;13-,17+;12-,16+/m0000/s1
• InChIKey: KHKVQFJMOWFAPP-ZAUDQODZSA-N
• XLogP: 14.75
• TPSA: 318.34 Ų
• H-Bond Acceptors: 26
• Rotatable Bonds: 16
• Heavy Atoms: 128
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1812.10
LogP ≤ 5	14.75
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	26

Frequently Asked Questions

What is the IUPAC name of [(2S,3R)-3-(5-chloropyrimidin-2-yl)oxy-2-methylpiperidin-1-yl]-[3-fluoro-2-(triazol-2-yl)phenyl]methanone;[3-fluoro-2-(triazol-2-yl)phenyl]-[(2S,3R)-3-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]methanone;[(2S,3R)-3-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]-[3-methyl-2-(triazol-2-yl)phenyl]methanone;[(2S,3R)-3-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]-[6-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone?

The IUPAC name of [(2S,3R)-3-(5-chloropyrimidin-2-yl)oxy-2-methylpiperidin-1-yl]-[3-fluoro-2-(triazol-2-yl)phenyl]methanone;[3-fluoro-2-(triazol-2-yl)phenyl]-[(2S,3R)-3-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]methanone;[(2S,3R)-3-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]-[3-methyl-2-(triazol-2-yl)phenyl]methanone;[(2S,3R)-3-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]-[6-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone (CID 159135445) is [(2S,3R)-3-(5-chloropyrimidin-2-yl)oxy-2-methylpiperidin-1-yl]-[3-fluoro-2-(triazol-2-yl)phenyl]methanone;[3-fluoro-2-(triazol-2-yl)phenyl]-[(2S,3R)-3-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]methanone;[(2S,3R)-3-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]-[3-methyl-2-(triazol-2-yl)phenyl]methanone;[(2S,3R)-3-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]-[6-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone.

What is the SMILES notation for [(2S,3R)-3-(5-chloropyrimidin-2-yl)oxy-2-methylpiperidin-1-yl]-[3-fluoro-2-(triazol-2-yl)phenyl]methanone;[3-fluoro-2-(triazol-2-yl)phenyl]-[(2S,3R)-3-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]methanone;[(2S,3R)-3-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]-[3-methyl-2-(triazol-2-yl)phenyl]methanone;[(2S,3R)-3-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]-[6-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone?

The canonical SMILES for [(2S,3R)-3-(5-chloropyrimidin-2-yl)oxy-2-methylpiperidin-1-yl]-[3-fluoro-2-(triazol-2-yl)phenyl]methanone;[3-fluoro-2-(triazol-2-yl)phenyl]-[(2S,3R)-3-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]methanone;[(2S,3R)-3-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]-[3-methyl-2-(triazol-2-yl)phenyl]methanone;[(2S,3R)-3-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]-[6-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone is C[C@H]1[C@H](Oc2ncc(C(F)(F)F)cc2F)CCCN1C(=O)c1cccc(F)c1-n1nccn1.C[C@H]1[C@H](Oc2ncc(Cl)cn2)CCCN1C(=O)c1cccc(F)c1-n1nccn1.Cc1ccc(-n2nccn2)c(C(=O)N2CCC[C@@H](Oc3ncc(C(F)(F)F)cc3F)[C@@H]2C)n1.Cc1cccc(C(=O)N2CCC[C@@H](Oc3ncc(C(F)(F)F)cc3F)[C@@H]2C)c1-n1nccn1.

What is the InChIKey of [(2S,3R)-3-(5-chloropyrimidin-2-yl)oxy-2-methylpiperidin-1-yl]-[3-fluoro-2-(triazol-2-yl)phenyl]methanone;[3-fluoro-2-(triazol-2-yl)phenyl]-[(2S,3R)-3-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]methanone;[(2S,3R)-3-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]-[3-methyl-2-(triazol-2-yl)phenyl]methanone;[(2S,3R)-3-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]-[6-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone?

The InChIKey is KHKVQFJMOWFAPP-ZAUDQODZSA-N. The full InChI is InChI=1S/C22H21F4N5O2.C21H18F5N5O2.C21H20F4N6O2.C19H18ClFN6O2/c1-13-5-3-6-16(19(13)31-28-8-9-29-31)21(32)30-10-4-7-18(14(30)2)33-20-17(23)11-15(12-27-20)22(24,25)26;1-12-17(33-19-16(23)10-13(11-27-19)21(24,25)26)6-3-9-30(12)20(32)14-4-2-5-15(22)18(14)31-28-7-8-29-31;1-12-5-6-16(31-27-7-8-28-31)18(29-12)20(32)30-9-3-4-17(13(30)2)33-19-15(22)10-14(11-26-19)21(23,24)25;1-12-16(29-19-22-10-13(20)11-23-19)6-3-9-26(12)18(28)14-4-2-5-15(21)17(14)27-24-7-8-25-27/h3,5-6,8-9,11-12,14,18H,4,7,10H2,1-2H3;2,4-5,7-8,10-12,17H,3,6,9H2,1H3;5-8,10-11,13,17H,3-4,9H2,1-2H3;2,4-5,7-8,10-12,16H,3,6,9H2,1H3/t14-,18+;12-,17+;13-,17+;12-,16+/m0000/s1.

What are the key properties of [(2S,3R)-3-(5-chloropyrimidin-2-yl)oxy-2-methylpiperidin-1-yl]-[3-fluoro-2-(triazol-2-yl)phenyl]methanone;[3-fluoro-2-(triazol-2-yl)phenyl]-[(2S,3R)-3-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]methanone;[(2S,3R)-3-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]-[3-methyl-2-(triazol-2-yl)phenyl]methanone;[(2S,3R)-3-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]-[6-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone?

[(2S,3R)-3-(5-chloropyrimidin-2-yl)oxy-2-methylpiperidin-1-yl]-[3-fluoro-2-(triazol-2-yl)phenyl]methanone;[3-fluoro-2-(triazol-2-yl)phenyl]-[(2S,3R)-3-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]methanone;[(2S,3R)-3-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]-[3-methyl-2-(triazol-2-yl)phenyl]methanone;[(2S,3R)-3-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]-[6-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone has a molecular weight of 1812.10 g/mol, XLogP of 14.75, 16 rotatable bonds, 0 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for [(2S,3R)-3-(5-chloropyrimidin-2-yl)oxy-2-methylpiperidin-1-yl]-[3-fluoro-2-(triazol-2-yl)phenyl]methanone;[3-fluoro-2-(triazol-2-yl)phenyl]-[(2S,3R)-3-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]methanone;[(2S,3R)-3-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]-[3-methyl-2-(triazol-2-yl)phenyl]methanone;[(2S,3R)-3-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]-[6-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone is sourced from PubChem (CID 159135445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).