(3-ethoxy-6-methyl-2-pyridinyl)-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]piperidin-1-yl]methanone;[4-fluoro-2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]piperidin-1-yl]methanone;[4-fluoro-2-(triazol-2-yl)phenyl]-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]piperidin-1-yl]methanone

C61H63F11N18O5 — CID 158597454

About (3-ethoxy-6-methyl-2-pyridinyl)-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]piperidin-1-yl]methanone;[4-fluoro-2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]piperidin-1-yl]methanone;[4-fluoro-2-(triazol-2-yl)phenyl]-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]piperidin-1-yl]methanone

(3-ethoxy-6-methyl-2-pyridinyl)-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]piperidin-1-yl]methanone;[4-fluoro-2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]piperidin-1-yl]methanone;[4-fluoro-2-(triazol-2-yl)phenyl]-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]piperidin-1-yl]methanone (PubChem CID 158597454) has the molecular formula C61H63F11N18O5 and a molecular weight of 1337.27 g/mol. Its IUPAC name is (3-ethoxy-6-methyl-2-pyridinyl)-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]piperidin-1-yl]methanone;[4-fluoro-2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]piperidin-1-yl]methanone;[4-fluoro-2-(triazol-2-yl)phenyl]-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]piperidin-1-yl]methanone.

Molecular Properties

• Compound Name: (3-ethoxy-6-methyl-2-pyridinyl)-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]piperidin-1-yl]methanone;[4-fluoro-2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]piperidin-1-yl]methanone;[4-fluoro-2-(triazol-2-yl)phenyl]-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]piperidin-1-yl]methanone
• PubChem CID: 158597454
• Molecular Formula: C61H63F11N18O5
• Molecular Weight: 1337.27 g/mol
• Exact Mass: 1336.51
• IUPAC Name: (3-ethoxy-6-methyl-2-pyridinyl)-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]piperidin-1-yl]methanone;[4-fluoro-2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]piperidin-1-yl]methanone;[4-fluoro-2-(triazol-2-yl)phenyl]-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]piperidin-1-yl]methanone
• SMILES: CCOc1ccc(C)nc1C(=O)N1CCC[C@@H](Nc2ncc(C(F)(F)F)cn2)[C@@H]1C.C[C@H]1[C@H](Nc2ncc(C(F)(F)F)cn2)CCCN1C(=O)c1ccc(F)cc1-n1nccn1.Cc1noc(-c2cc(F)ccc2C(=O)N2CCC[C@@H](Nc3ncc(C(F)(F)F)cn3)[C@@H]2C)n1
• InChI: InChI=1S/C21H20F4N6O2.C20H19F4N7O.C20H24F3N5O2/c1-11-17(29-20-26-9-13(10-27-20)21(23,24)25)4-3-7-31(11)19(32)15-6-5-14(22)8-16(15)18-28-12(2)30-33-18;1-12-16(29-19-25-10-13(11-26-19)20(22,23)24)3-2-8-30(12)18(32)15-5-4-14(21)9-17(15)31-27-6-7-28-31;1-4-30-16-8-7-12(2)26-17(16)18(29)28-9-5-6-15(13(28)3)27-19-24-10-14(11-25-19)20(21,22)23/h5-6,8-11,17H,3-4,7H2,1-2H3,(H,26,27,29);4-7,9-12,16H,2-3,8H2,1H3,(H,25,26,29);7-8,10-11,13,15H,4-6,9H2,1-3H3,(H,24,25,27)/t11-,17+;12-,16+;13-,15+/m000/s1
• InChIKey: HVFDVAIVKUYRQO-JXPXLPFNSA-N
• XLogP: 11.12
• TPSA: 266.11 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 20
• Rotatable Bonds: 13
• Heavy Atoms: 95
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1337.27
LogP ≤ 5	11.12
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of (3-ethoxy-6-methyl-2-pyridinyl)-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]piperidin-1-yl]methanone;[4-fluoro-2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]piperidin-1-yl]methanone;[4-fluoro-2-(triazol-2-yl)phenyl]-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]piperidin-1-yl]methanone?

The IUPAC name of (3-ethoxy-6-methyl-2-pyridinyl)-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]piperidin-1-yl]methanone;[4-fluoro-2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]piperidin-1-yl]methanone;[4-fluoro-2-(triazol-2-yl)phenyl]-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]piperidin-1-yl]methanone (CID 158597454) is (3-ethoxy-6-methyl-2-pyridinyl)-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]piperidin-1-yl]methanone;[4-fluoro-2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]piperidin-1-yl]methanone;[4-fluoro-2-(triazol-2-yl)phenyl]-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]piperidin-1-yl]methanone.

What is the SMILES notation for (3-ethoxy-6-methyl-2-pyridinyl)-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]piperidin-1-yl]methanone;[4-fluoro-2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]piperidin-1-yl]methanone;[4-fluoro-2-(triazol-2-yl)phenyl]-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]piperidin-1-yl]methanone?

The canonical SMILES for (3-ethoxy-6-methyl-2-pyridinyl)-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]piperidin-1-yl]methanone;[4-fluoro-2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]piperidin-1-yl]methanone;[4-fluoro-2-(triazol-2-yl)phenyl]-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]piperidin-1-yl]methanone is CCOc1ccc(C)nc1C(=O)N1CCC[C@@H](Nc2ncc(C(F)(F)F)cn2)[C@@H]1C.C[C@H]1[C@H](Nc2ncc(C(F)(F)F)cn2)CCCN1C(=O)c1ccc(F)cc1-n1nccn1.Cc1noc(-c2cc(F)ccc2C(=O)N2CCC[C@@H](Nc3ncc(C(F)(F)F)cn3)[C@@H]2C)n1.

What is the InChIKey of (3-ethoxy-6-methyl-2-pyridinyl)-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]piperidin-1-yl]methanone;[4-fluoro-2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]piperidin-1-yl]methanone;[4-fluoro-2-(triazol-2-yl)phenyl]-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]piperidin-1-yl]methanone?

The InChIKey is HVFDVAIVKUYRQO-JXPXLPFNSA-N. The full InChI is InChI=1S/C21H20F4N6O2.C20H19F4N7O.C20H24F3N5O2/c1-11-17(29-20-26-9-13(10-27-20)21(23,24)25)4-3-7-31(11)19(32)15-6-5-14(22)8-16(15)18-28-12(2)30-33-18;1-12-16(29-19-25-10-13(11-26-19)20(22,23)24)3-2-8-30(12)18(32)15-5-4-14(21)9-17(15)31-27-6-7-28-31;1-4-30-16-8-7-12(2)26-17(16)18(29)28-9-5-6-15(13(28)3)27-19-24-10-14(11-25-19)20(21,22)23/h5-6,8-11,17H,3-4,7H2,1-2H3,(H,26,27,29);4-7,9-12,16H,2-3,8H2,1H3,(H,25,26,29);7-8,10-11,13,15H,4-6,9H2,1-3H3,(H,24,25,27)/t11-,17+;12-,16+;13-,15+/m000/s1.

What are the key properties of (3-ethoxy-6-methyl-2-pyridinyl)-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]piperidin-1-yl]methanone;[4-fluoro-2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]piperidin-1-yl]methanone;[4-fluoro-2-(triazol-2-yl)phenyl]-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]piperidin-1-yl]methanone?

(3-ethoxy-6-methyl-2-pyridinyl)-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]piperidin-1-yl]methanone;[4-fluoro-2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]piperidin-1-yl]methanone;[4-fluoro-2-(triazol-2-yl)phenyl]-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]piperidin-1-yl]methanone has a molecular weight of 1337.27 g/mol, XLogP of 11.12, 13 rotatable bonds, 3 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for (3-ethoxy-6-methyl-2-pyridinyl)-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]piperidin-1-yl]methanone;[4-fluoro-2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]piperidin-1-yl]methanone;[4-fluoro-2-(triazol-2-yl)phenyl]-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]piperidin-1-yl]methanone is sourced from PubChem (CID 158597454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).