(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-[3-fluoro-5-methyl-2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;[4-[3-(1,1-difluoroethyl)-5-(trifluoromethyl)phenyl]piperidin-1-yl]-(6-methoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methanone

C42H38BrF9N8O3 — CID 158427297

About (6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-[3-fluoro-5-methyl-2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;[4-[3-(1,1-difluoroethyl)-5-(trifluoromethyl)phenyl]piperidin-1-yl]-(6-methoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methanone

(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-[3-fluoro-5-methyl-2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;[4-[3-(1,1-difluoroethyl)-5-(trifluoromethyl)phenyl]piperidin-1-yl]-(6-methoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methanone (PubChem CID 158427297) has the molecular formula C42H38BrF9N8O3 and a molecular weight of 953.70 g/mol. Its IUPAC name is (6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-[3-fluoro-5-methyl-2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;[4-[3-(1,1-difluoroethyl)-5-(trifluoromethyl)phenyl]piperidin-1-yl]-(6-methoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methanone.

Molecular Properties

• Compound Name: (6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-[3-fluoro-5-methyl-2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;[4-[3-(1,1-difluoroethyl)-5-(trifluoromethyl)phenyl]piperidin-1-yl]-(6-methoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methanone
• PubChem CID: 158427297
• Molecular Formula: C42H38BrF9N8O3
• Molecular Weight: 953.70 g/mol
• Exact Mass: 952.21
• IUPAC Name: (6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-[3-fluoro-5-methyl-2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;[4-[3-(1,1-difluoroethyl)-5-(trifluoromethyl)phenyl]piperidin-1-yl]-(6-methoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methanone
• SMILES: COc1ccc2nnc(C(=O)N3CCC(c4cc(C(C)(F)F)cc(C(F)(F)F)c4)CC3)n2c1.Cc1cc(F)c(C(F)(F)F)c(C2CCN(C(=O)c3nnc4ccc(Br)cn34)CC2)c1
• InChI: InChI=1S/C22H21F5N4O2.C20H17BrF4N4O/c1-21(23,24)15-9-14(10-16(11-15)22(25,26)27)13-5-7-30(8-6-13)20(32)19-29-28-18-4-3-17(33-2)12-31(18)19;1-11-8-14(17(15(22)9-11)20(23,24)25)12-4-6-28(7-5-12)19(30)18-27-26-16-3-2-13(21)10-29(16)18/h3-4,9-13H,5-8H2,1-2H3;2-3,8-10,12H,4-7H2,1H3
• InChIKey: HBFFYOCKAJCBSK-UHFFFAOYSA-N
• XLogP: 9.87
• TPSA: 110.23 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	953.70
LogP ≤ 5	9.87
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of (6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-[3-fluoro-5-methyl-2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;[4-[3-(1,1-difluoroethyl)-5-(trifluoromethyl)phenyl]piperidin-1-yl]-(6-methoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methanone?

The IUPAC name of (6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-[3-fluoro-5-methyl-2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;[4-[3-(1,1-difluoroethyl)-5-(trifluoromethyl)phenyl]piperidin-1-yl]-(6-methoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methanone (CID 158427297) is (6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-[3-fluoro-5-methyl-2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;[4-[3-(1,1-difluoroethyl)-5-(trifluoromethyl)phenyl]piperidin-1-yl]-(6-methoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methanone.

What is the SMILES notation for (6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-[3-fluoro-5-methyl-2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;[4-[3-(1,1-difluoroethyl)-5-(trifluoromethyl)phenyl]piperidin-1-yl]-(6-methoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methanone?

The canonical SMILES for (6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-[3-fluoro-5-methyl-2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;[4-[3-(1,1-difluoroethyl)-5-(trifluoromethyl)phenyl]piperidin-1-yl]-(6-methoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methanone is COc1ccc2nnc(C(=O)N3CCC(c4cc(C(C)(F)F)cc(C(F)(F)F)c4)CC3)n2c1.Cc1cc(F)c(C(F)(F)F)c(C2CCN(C(=O)c3nnc4ccc(Br)cn34)CC2)c1.

What is the InChIKey of (6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-[3-fluoro-5-methyl-2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;[4-[3-(1,1-difluoroethyl)-5-(trifluoromethyl)phenyl]piperidin-1-yl]-(6-methoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methanone?

The InChIKey is HBFFYOCKAJCBSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F5N4O2.C20H17BrF4N4O/c1-21(23,24)15-9-14(10-16(11-15)22(25,26)27)13-5-7-30(8-6-13)20(32)19-29-28-18-4-3-17(33-2)12-31(18)19;1-11-8-14(17(15(22)9-11)20(23,24)25)12-4-6-28(7-5-12)19(30)18-27-26-16-3-2-13(21)10-29(16)18/h3-4,9-13H,5-8H2,1-2H3;2-3,8-10,12H,4-7H2,1H3.

What are the key properties of (6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-[3-fluoro-5-methyl-2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;[4-[3-(1,1-difluoroethyl)-5-(trifluoromethyl)phenyl]piperidin-1-yl]-(6-methoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methanone?

(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-[3-fluoro-5-methyl-2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;[4-[3-(1,1-difluoroethyl)-5-(trifluoromethyl)phenyl]piperidin-1-yl]-(6-methoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methanone has a molecular weight of 953.70 g/mol, XLogP of 9.87, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for (6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-[3-fluoro-5-methyl-2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;[4-[3-(1,1-difluoroethyl)-5-(trifluoromethyl)phenyl]piperidin-1-yl]-(6-methoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methanone is sourced from PubChem (CID 158427297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).