(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-(2-chloro-3-fluorophenyl)piperidin-1-yl]methanone;(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-[2-fluoro-6-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;3-[4-(2-chloro-3-fluorophenyl)piperidine-1-carbonyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile;3-[4-[3-chloro-2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile;3-[4-[2-fluoro-6-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile;methane

C101H95Br2Cl3F13N23O5 — CID 161076559

About (6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-(2-chloro-3-fluorophenyl)piperidin-1-yl]methanone;(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-[2-fluoro-6-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;3-[4-(2-chloro-3-fluorophenyl)piperidine-1-carbonyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile;3-[4-[3-chloro-2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile;3-[4-[2-fluoro-6-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile;methane

(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-(2-chloro-3-fluorophenyl)piperidin-1-yl]methanone;(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-[2-fluoro-6-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;3-[4-(2-chloro-3-fluorophenyl)piperidine-1-carbonyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile;3-[4-[3-chloro-2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile;3-[4-[2-fluoro-6-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile;methane (PubChem CID 161076559) has the molecular formula C101H95Br2Cl3F13N23O5 and a molecular weight of 2224.17 g/mol. Its IUPAC name is (6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-(2-chloro-3-fluorophenyl)piperidin-1-yl]methanone;(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-[2-fluoro-6-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;3-[4-(2-chloro-3-fluorophenyl)piperidine-1-carbonyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile;3-[4-[3-chloro-2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile;3-[4-[2-fluoro-6-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile;methane.

Molecular Properties

• Compound Name: (6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-(2-chloro-3-fluorophenyl)piperidin-1-yl]methanone;(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-[2-fluoro-6-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;3-[4-(2-chloro-3-fluorophenyl)piperidine-1-carbonyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile;3-[4-[3-chloro-2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile;3-[4-[2-fluoro-6-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile;methane
• PubChem CID: 161076559
• Molecular Formula: C101H95Br2Cl3F13N23O5
• Molecular Weight: 2224.17 g/mol
• Exact Mass: 2219.51
• IUPAC Name: (6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-(2-chloro-3-fluorophenyl)piperidin-1-yl]methanone;(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-[2-fluoro-6-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;3-[4-(2-chloro-3-fluorophenyl)piperidine-1-carbonyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile;3-[4-[3-chloro-2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile;3-[4-[2-fluoro-6-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile;methane
• SMILES: C.C.C.C.C.N#Cc1ccc2nnc(C(=O)N3CCC(c4c(F)cccc4C(F)(F)F)CC3)n2c1.N#Cc1ccc2nnc(C(=O)N3CCC(c4cccc(Cl)c4C(F)(F)F)CC3)n2c1.N#Cc1ccc2nnc(C(=O)N3CCC(c4cccc(F)c4Cl)CC3)n2c1.O=C(c1nnc2ccc(Br)cn12)N1CCC(c2c(F)cccc2C(F)(F)F)CC1.O=C(c1nnc2ccc(Br)cn12)N1CCC(c2cccc(F)c2Cl)CC1
• InChI: InChI=1S/C20H15ClF3N5O.C20H15F4N5O.C19H15BrF4N4O.C19H15ClFN5O.C18H15BrClFN4O.5CH4/c21-15-3-1-2-14(17(15)20(22,23)24)13-6-8-28(9-7-13)19(30)18-27-26-16-5-4-12(10-25)11-29(16)18;21-15-3-1-2-14(20(22,23)24)17(15)13-6-8-28(9-7-13)19(30)18-27-26-16-5-4-12(10-25)11-29(16)18;20-12-4-5-15-25-26-17(28(15)10-12)18(29)27-8-6-11(7-9-27)16-13(19(22,23)24)2-1-3-14(16)21;20-17-14(2-1-3-15(17)21)13-6-8-25(9-7-13)19(27)18-24-23-16-5-4-12(10-22)11-26(16)18;19-12-4-5-15-22-23-17(25(15)10-12)18(26)24-8-6-11(7-9-24)13-2-1-3-14(21)16(13)20;;;;;/h2*1-5,11,13H,6-9H2;1-5,10-11H,6-9H2;1-5,11,13H,6-9H2;1-5,10-11H,6-9H2;5*1H4
• InChIKey: UFIWNFATYXDCTD-UHFFFAOYSA-N
• XLogP: 23.64
• TPSA: 323.87 Ų
• H-Bond Acceptors: 23
• Rotatable Bonds: 10
• Heavy Atoms: 147
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2224.17
LogP ≤ 5	23.64
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	23

Frequently Asked Questions

What is the IUPAC name of (6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-(2-chloro-3-fluorophenyl)piperidin-1-yl]methanone;(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-[2-fluoro-6-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;3-[4-(2-chloro-3-fluorophenyl)piperidine-1-carbonyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile;3-[4-[3-chloro-2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile;3-[4-[2-fluoro-6-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile;methane?

The IUPAC name of (6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-(2-chloro-3-fluorophenyl)piperidin-1-yl]methanone;(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-[2-fluoro-6-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;3-[4-(2-chloro-3-fluorophenyl)piperidine-1-carbonyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile;3-[4-[3-chloro-2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile;3-[4-[2-fluoro-6-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile;methane (CID 161076559) is (6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-(2-chloro-3-fluorophenyl)piperidin-1-yl]methanone;(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-[2-fluoro-6-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;3-[4-(2-chloro-3-fluorophenyl)piperidine-1-carbonyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile;3-[4-[3-chloro-2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile;3-[4-[2-fluoro-6-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile;methane.

What is the SMILES notation for (6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-(2-chloro-3-fluorophenyl)piperidin-1-yl]methanone;(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-[2-fluoro-6-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;3-[4-(2-chloro-3-fluorophenyl)piperidine-1-carbonyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile;3-[4-[3-chloro-2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile;3-[4-[2-fluoro-6-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile;methane?

The canonical SMILES for (6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-(2-chloro-3-fluorophenyl)piperidin-1-yl]methanone;(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-[2-fluoro-6-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;3-[4-(2-chloro-3-fluorophenyl)piperidine-1-carbonyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile;3-[4-[3-chloro-2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile;3-[4-[2-fluoro-6-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile;methane is C.C.C.C.C.N#Cc1ccc2nnc(C(=O)N3CCC(c4c(F)cccc4C(F)(F)F)CC3)n2c1.N#Cc1ccc2nnc(C(=O)N3CCC(c4cccc(Cl)c4C(F)(F)F)CC3)n2c1.N#Cc1ccc2nnc(C(=O)N3CCC(c4cccc(F)c4Cl)CC3)n2c1.O=C(c1nnc2ccc(Br)cn12)N1CCC(c2c(F)cccc2C(F)(F)F)CC1.O=C(c1nnc2ccc(Br)cn12)N1CCC(c2cccc(F)c2Cl)CC1.

What is the InChIKey of (6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-(2-chloro-3-fluorophenyl)piperidin-1-yl]methanone;(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-[2-fluoro-6-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;3-[4-(2-chloro-3-fluorophenyl)piperidine-1-carbonyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile;3-[4-[3-chloro-2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile;3-[4-[2-fluoro-6-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile;methane?

The InChIKey is UFIWNFATYXDCTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClF3N5O.C20H15F4N5O.C19H15BrF4N4O.C19H15ClFN5O.C18H15BrClFN4O.5CH4/c21-15-3-1-2-14(17(15)20(22,23)24)13-6-8-28(9-7-13)19(30)18-27-26-16-5-4-12(10-25)11-29(16)18;21-15-3-1-2-14(20(22,23)24)17(15)13-6-8-28(9-7-13)19(30)18-27-26-16-5-4-12(10-25)11-29(16)18;20-12-4-5-15-25-26-17(28(15)10-12)18(29)27-8-6-11(7-9-27)16-13(19(22,23)24)2-1-3-14(16)21;20-17-14(2-1-3-15(17)21)13-6-8-25(9-7-13)19(27)18-24-23-16-5-4-12(10-22)11-26(16)18;19-12-4-5-15-22-23-17(25(15)10-12)18(26)24-8-6-11(7-9-24)13-2-1-3-14(21)16(13)20;;;;;/h2*1-5,11,13H,6-9H2;1-5,10-11H,6-9H2;1-5,11,13H,6-9H2;1-5,10-11H,6-9H2;5*1H4.

What are the key properties of (6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-(2-chloro-3-fluorophenyl)piperidin-1-yl]methanone;(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-[2-fluoro-6-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;3-[4-(2-chloro-3-fluorophenyl)piperidine-1-carbonyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile;3-[4-[3-chloro-2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile;3-[4-[2-fluoro-6-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile;methane?

(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-(2-chloro-3-fluorophenyl)piperidin-1-yl]methanone;(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-[2-fluoro-6-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;3-[4-(2-chloro-3-fluorophenyl)piperidine-1-carbonyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile;3-[4-[3-chloro-2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile;3-[4-[2-fluoro-6-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile;methane has a molecular weight of 2224.17 g/mol, XLogP of 23.64, 10 rotatable bonds, 0 hydrogen bond donors, and 23 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-(2-chloro-3-fluorophenyl)piperidin-1-yl]methanone;(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-[2-fluoro-6-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;3-[4-(2-chloro-3-fluorophenyl)piperidine-1-carbonyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile;3-[4-[3-chloro-2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile;3-[4-[2-fluoro-6-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile;methane is sourced from PubChem (CID 161076559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).