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

C66H66ClF7N12O7 — CID 159416489

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

[(2S,3R)-3-[(5-chloro-2-pyridinyl)oxy]-2-methylpiperidin-1-yl]-(3-pyrimidin-2-yl-2-pyridinyl)methanone;(3-ethoxy-6-methyl-2-pyridinyl)-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone;[(2S,3R)-3-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]-(3-methyl-2-pyrimidin-2-ylphenyl)methanone (PubChem CID 159416489) has the molecular formula C66H66ClF7N12O7 and a molecular weight of 1307.77 g/mol. Its IUPAC name is [(2S,3R)-3-[(5-chloro-2-pyridinyl)oxy]-2-methylpiperidin-1-yl]-(3-pyrimidin-2-yl-2-pyridinyl)methanone;(3-ethoxy-6-methyl-2-pyridinyl)-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone;[(2S,3R)-3-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]-(3-methyl-2-pyrimidin-2-ylphenyl)methanone.

Molecular Properties

• Compound Name: [(2S,3R)-3-[(5-chloro-2-pyridinyl)oxy]-2-methylpiperidin-1-yl]-(3-pyrimidin-2-yl-2-pyridinyl)methanone;(3-ethoxy-6-methyl-2-pyridinyl)-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone;[(2S,3R)-3-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]-(3-methyl-2-pyrimidin-2-ylphenyl)methanone
• PubChem CID: 159416489
• Molecular Formula: C66H66ClF7N12O7
• Molecular Weight: 1307.77 g/mol
• Exact Mass: 1306.48
• IUPAC Name: [(2S,3R)-3-[(5-chloro-2-pyridinyl)oxy]-2-methylpiperidin-1-yl]-(3-pyrimidin-2-yl-2-pyridinyl)methanone;(3-ethoxy-6-methyl-2-pyridinyl)-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone;[(2S,3R)-3-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]-(3-methyl-2-pyrimidin-2-ylphenyl)methanone
• SMILES: CCOc1ccc(C)nc1C(=O)N1CCC[C@@H](Oc2ccc(C(F)(F)F)cn2)[C@@H]1C.C[C@H]1[C@H](Oc2ccc(Cl)cn2)CCCN1C(=O)c1ncccc1-c1ncccn1.Cc1cccc(C(=O)N2CCC[C@@H](Oc3ncc(C(F)(F)F)cc3F)[C@@H]2C)c1-c1ncccn1
• InChI: InChI=1S/C24H22F4N4O2.C21H20ClN5O2.C21H24F3N3O3/c1-14-6-3-7-17(20(14)21-29-9-5-10-30-21)23(33)32-11-4-8-19(15(32)2)34-22-18(25)12-16(13-31-22)24(26,27)28;1-14-17(29-18-8-7-15(22)13-26-18)6-3-12-27(14)21(28)19-16(5-2-9-23-19)20-24-10-4-11-25-20;1-4-29-17-9-7-13(2)26-19(17)20(28)27-11-5-6-16(14(27)3)30-18-10-8-15(12-25-18)21(22,23)24/h3,5-7,9-10,12-13,15,19H,4,8,11H2,1-2H3;2,4-5,7-11,13-14,17H,3,6,12H2,1H3;7-10,12,14,16H,4-6,11H2,1-3H3/t15-,19+;14-,17+;14-,16+/m000/s1
• InChIKey: LPFMRRGEEHTYGE-LAPFFHPTSA-N
• XLogP: 13.01
• TPSA: 213.86 Ų
• H-Bond Acceptors: 16
• Rotatable Bonds: 13
• Heavy Atoms: 93
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1307.77
LogP ≤ 5	13.01
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-pyrimidin-2-yl-2-pyridinyl)methanone;(3-ethoxy-6-methyl-2-pyridinyl)-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone;[(2S,3R)-3-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]-(3-methyl-2-pyrimidin-2-ylphenyl)methanone?

The IUPAC name of [(2S,3R)-3-[(5-chloro-2-pyridinyl)oxy]-2-methylpiperidin-1-yl]-(3-pyrimidin-2-yl-2-pyridinyl)methanone;(3-ethoxy-6-methyl-2-pyridinyl)-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone;[(2S,3R)-3-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]-(3-methyl-2-pyrimidin-2-ylphenyl)methanone (CID 159416489) is [(2S,3R)-3-[(5-chloro-2-pyridinyl)oxy]-2-methylpiperidin-1-yl]-(3-pyrimidin-2-yl-2-pyridinyl)methanone;(3-ethoxy-6-methyl-2-pyridinyl)-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone;[(2S,3R)-3-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]-(3-methyl-2-pyrimidin-2-ylphenyl)methanone.

What is the SMILES notation for [(2S,3R)-3-[(5-chloro-2-pyridinyl)oxy]-2-methylpiperidin-1-yl]-(3-pyrimidin-2-yl-2-pyridinyl)methanone;(3-ethoxy-6-methyl-2-pyridinyl)-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone;[(2S,3R)-3-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]-(3-methyl-2-pyrimidin-2-ylphenyl)methanone?

The canonical SMILES for [(2S,3R)-3-[(5-chloro-2-pyridinyl)oxy]-2-methylpiperidin-1-yl]-(3-pyrimidin-2-yl-2-pyridinyl)methanone;(3-ethoxy-6-methyl-2-pyridinyl)-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone;[(2S,3R)-3-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]-(3-methyl-2-pyrimidin-2-ylphenyl)methanone is CCOc1ccc(C)nc1C(=O)N1CCC[C@@H](Oc2ccc(C(F)(F)F)cn2)[C@@H]1C.C[C@H]1[C@H](Oc2ccc(Cl)cn2)CCCN1C(=O)c1ncccc1-c1ncccn1.Cc1cccc(C(=O)N2CCC[C@@H](Oc3ncc(C(F)(F)F)cc3F)[C@@H]2C)c1-c1ncccn1.

What is the InChIKey of [(2S,3R)-3-[(5-chloro-2-pyridinyl)oxy]-2-methylpiperidin-1-yl]-(3-pyrimidin-2-yl-2-pyridinyl)methanone;(3-ethoxy-6-methyl-2-pyridinyl)-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone;[(2S,3R)-3-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]-(3-methyl-2-pyrimidin-2-ylphenyl)methanone?

The InChIKey is LPFMRRGEEHTYGE-LAPFFHPTSA-N. The full InChI is InChI=1S/C24H22F4N4O2.C21H20ClN5O2.C21H24F3N3O3/c1-14-6-3-7-17(20(14)21-29-9-5-10-30-21)23(33)32-11-4-8-19(15(32)2)34-22-18(25)12-16(13-31-22)24(26,27)28;1-14-17(29-18-8-7-15(22)13-26-18)6-3-12-27(14)21(28)19-16(5-2-9-23-19)20-24-10-4-11-25-20;1-4-29-17-9-7-13(2)26-19(17)20(28)27-11-5-6-16(14(27)3)30-18-10-8-15(12-25-18)21(22,23)24/h3,5-7,9-10,12-13,15,19H,4,8,11H2,1-2H3;2,4-5,7-11,13-14,17H,3,6,12H2,1H3;7-10,12,14,16H,4-6,11H2,1-3H3/t15-,19+;14-,17+;14-,16+/m000/s1.

What are the key properties of [(2S,3R)-3-[(5-chloro-2-pyridinyl)oxy]-2-methylpiperidin-1-yl]-(3-pyrimidin-2-yl-2-pyridinyl)methanone;(3-ethoxy-6-methyl-2-pyridinyl)-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone;[(2S,3R)-3-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]-(3-methyl-2-pyrimidin-2-ylphenyl)methanone?

[(2S,3R)-3-[(5-chloro-2-pyridinyl)oxy]-2-methylpiperidin-1-yl]-(3-pyrimidin-2-yl-2-pyridinyl)methanone;(3-ethoxy-6-methyl-2-pyridinyl)-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone;[(2S,3R)-3-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]-(3-methyl-2-pyrimidin-2-ylphenyl)methanone has a molecular weight of 1307.77 g/mol, XLogP of 13.01, 13 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-pyrimidin-2-yl-2-pyridinyl)methanone;(3-ethoxy-6-methyl-2-pyridinyl)-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone;[(2S,3R)-3-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]-(3-methyl-2-pyrimidin-2-ylphenyl)methanone is sourced from PubChem (CID 159416489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).