[(2S,3R)-3-[(5-chloro-2-pyridinyl)oxy]-2-methylpiperidin-1-yl]-[3-fluoro-2-(1,3-oxazol-2-yl)phenyl]methanone;[(2S,3R)-3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]-[3-fluoro-2-(1,3-oxazol-2-yl)phenyl]methanone;[(2S,3R)-3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]-(5-methyl-3-pyrimidin-2-yl-2-pyridinyl)methanone

C66H58Cl3F8N11O8 — CID 158322014

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

[(2S,3R)-3-[(5-chloro-2-pyridinyl)oxy]-2-methylpiperidin-1-yl]-[3-fluoro-2-(1,3-oxazol-2-yl)phenyl]methanone;[(2S,3R)-3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]-[3-fluoro-2-(1,3-oxazol-2-yl)phenyl]methanone;[(2S,3R)-3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]-(5-methyl-3-pyrimidin-2-yl-2-pyridinyl)methanone (PubChem CID 158322014) has the molecular formula C66H58Cl3F8N11O8 and a molecular weight of 1391.60 g/mol. Its IUPAC name is [(2S,3R)-3-[(5-chloro-2-pyridinyl)oxy]-2-methylpiperidin-1-yl]-[3-fluoro-2-(1,3-oxazol-2-yl)phenyl]methanone;[(2S,3R)-3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]-[3-fluoro-2-(1,3-oxazol-2-yl)phenyl]methanone;[(2S,3R)-3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]-(5-methyl-3-pyrimidin-2-yl-2-pyridinyl)methanone.

Molecular Properties

• Compound Name: [(2S,3R)-3-[(5-chloro-2-pyridinyl)oxy]-2-methylpiperidin-1-yl]-[3-fluoro-2-(1,3-oxazol-2-yl)phenyl]methanone;[(2S,3R)-3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]-[3-fluoro-2-(1,3-oxazol-2-yl)phenyl]methanone;[(2S,3R)-3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]-(5-methyl-3-pyrimidin-2-yl-2-pyridinyl)methanone
• PubChem CID: 158322014
• Molecular Formula: C66H58Cl3F8N11O8
• Molecular Weight: 1391.60 g/mol
• Exact Mass: 1389.34
• IUPAC Name: [(2S,3R)-3-[(5-chloro-2-pyridinyl)oxy]-2-methylpiperidin-1-yl]-[3-fluoro-2-(1,3-oxazol-2-yl)phenyl]methanone;[(2S,3R)-3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]-[3-fluoro-2-(1,3-oxazol-2-yl)phenyl]methanone;[(2S,3R)-3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]-(5-methyl-3-pyrimidin-2-yl-2-pyridinyl)methanone
• SMILES: C[C@H]1[C@H](Oc2ccc(Cl)cn2)CCCN1C(=O)c1cccc(F)c1-c1ncco1.C[C@H]1[C@H](Oc2ncc(C(F)(F)F)cc2Cl)CCCN1C(=O)c1cccc(F)c1-c1ncco1.Cc1cnc(C(=O)N2CCC[C@@H](Oc3ncc(C(F)(F)F)cc3Cl)[C@@H]2C)c(-c2ncccn2)c1
• InChI: InChI=1S/C23H21ClF3N5O2.C22H18ClF4N3O3.C21H19ClFN3O3/c1-13-9-16(20-28-6-4-7-29-20)19(30-11-13)22(33)32-8-3-5-18(14(32)2)34-21-17(24)10-15(12-31-21)23(25,26)27;1-12-17(33-19-15(23)10-13(11-29-19)22(25,26)27)6-3-8-30(12)21(31)14-4-2-5-16(24)18(14)20-28-7-9-32-20;1-13-17(29-18-8-7-14(22)12-25-18)6-3-10-26(13)21(27)15-4-2-5-16(23)19(15)20-24-9-11-28-20/h4,6-7,9-12,14,18H,3,5,8H2,1-2H3;2,4-5,7,9-12,17H,3,6,8H2,1H3;2,4-5,7-9,11-13,17H,3,6,10H2,1H3/t14-,18+;12-,17+;13-,17+/m000/s1
• InChIKey: GOYSUXXJGWIUET-LKGWIMPYSA-N
• XLogP: 15.21
• TPSA: 218.02 Ų
• H-Bond Acceptors: 16
• Rotatable Bonds: 12
• Heavy Atoms: 96
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1391.60
LogP ≤ 5	15.21
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

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

The IUPAC name of [(2S,3R)-3-[(5-chloro-2-pyridinyl)oxy]-2-methylpiperidin-1-yl]-[3-fluoro-2-(1,3-oxazol-2-yl)phenyl]methanone;[(2S,3R)-3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]-[3-fluoro-2-(1,3-oxazol-2-yl)phenyl]methanone;[(2S,3R)-3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]-(5-methyl-3-pyrimidin-2-yl-2-pyridinyl)methanone (CID 158322014) is [(2S,3R)-3-[(5-chloro-2-pyridinyl)oxy]-2-methylpiperidin-1-yl]-[3-fluoro-2-(1,3-oxazol-2-yl)phenyl]methanone;[(2S,3R)-3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]-[3-fluoro-2-(1,3-oxazol-2-yl)phenyl]methanone;[(2S,3R)-3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]-(5-methyl-3-pyrimidin-2-yl-2-pyridinyl)methanone.

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

The canonical SMILES for [(2S,3R)-3-[(5-chloro-2-pyridinyl)oxy]-2-methylpiperidin-1-yl]-[3-fluoro-2-(1,3-oxazol-2-yl)phenyl]methanone;[(2S,3R)-3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]-[3-fluoro-2-(1,3-oxazol-2-yl)phenyl]methanone;[(2S,3R)-3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]-(5-methyl-3-pyrimidin-2-yl-2-pyridinyl)methanone is C[C@H]1[C@H](Oc2ccc(Cl)cn2)CCCN1C(=O)c1cccc(F)c1-c1ncco1.C[C@H]1[C@H](Oc2ncc(C(F)(F)F)cc2Cl)CCCN1C(=O)c1cccc(F)c1-c1ncco1.Cc1cnc(C(=O)N2CCC[C@@H](Oc3ncc(C(F)(F)F)cc3Cl)[C@@H]2C)c(-c2ncccn2)c1.

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

The InChIKey is GOYSUXXJGWIUET-LKGWIMPYSA-N. The full InChI is InChI=1S/C23H21ClF3N5O2.C22H18ClF4N3O3.C21H19ClFN3O3/c1-13-9-16(20-28-6-4-7-29-20)19(30-11-13)22(33)32-8-3-5-18(14(32)2)34-21-17(24)10-15(12-31-21)23(25,26)27;1-12-17(33-19-15(23)10-13(11-29-19)22(25,26)27)6-3-8-30(12)21(31)14-4-2-5-16(24)18(14)20-28-7-9-32-20;1-13-17(29-18-8-7-14(22)12-25-18)6-3-10-26(13)21(27)15-4-2-5-16(23)19(15)20-24-9-11-28-20/h4,6-7,9-12,14,18H,3,5,8H2,1-2H3;2,4-5,7,9-12,17H,3,6,8H2,1H3;2,4-5,7-9,11-13,17H,3,6,10H2,1H3/t14-,18+;12-,17+;13-,17+/m000/s1.

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

[(2S,3R)-3-[(5-chloro-2-pyridinyl)oxy]-2-methylpiperidin-1-yl]-[3-fluoro-2-(1,3-oxazol-2-yl)phenyl]methanone;[(2S,3R)-3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]-[3-fluoro-2-(1,3-oxazol-2-yl)phenyl]methanone;[(2S,3R)-3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]-(5-methyl-3-pyrimidin-2-yl-2-pyridinyl)methanone has a molecular weight of 1391.60 g/mol, XLogP of 15.21, 12 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for [(2S,3R)-3-[(5-chloro-2-pyridinyl)oxy]-2-methylpiperidin-1-yl]-[3-fluoro-2-(1,3-oxazol-2-yl)phenyl]methanone;[(2S,3R)-3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]-[3-fluoro-2-(1,3-oxazol-2-yl)phenyl]methanone;[(2S,3R)-3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]-(5-methyl-3-pyrimidin-2-yl-2-pyridinyl)methanone is sourced from PubChem (CID 158322014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).