(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(6-ethoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;methane;(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methanone;[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]-[7-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methanone

C105H108ClF21N20O6 — CID 162091253

About (6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(6-ethoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;methane;(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methanone;[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]-[7-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methanone

(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(6-ethoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;methane;(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methanone;[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]-[7-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methanone (PubChem CID 162091253) has the molecular formula C105H108ClF21N20O6 and a molecular weight of 2180.56 g/mol. Its IUPAC name is (6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(6-ethoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;methane;(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methanone;[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]-[7-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methanone.

Molecular Properties

• Compound Name: (6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(6-ethoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;methane;(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methanone;[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]-[7-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methanone
• PubChem CID: 162091253
• Molecular Formula: C105H108ClF21N20O6
• Molecular Weight: 2180.56 g/mol
• Exact Mass: 2178.81
• IUPAC Name: (6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(6-ethoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;methane;(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methanone;[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]-[7-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methanone
• SMILES: C.C.C.C.C.CCOc1ccc2nnc(C(=O)N3CCC(c4ccccc4C(F)(F)F)CC3)n2c1.Cc1ccc2nnc(C(=O)N3CCC(c4ccccc4C(F)(F)F)CC3)n2c1.O=C(c1nnc2cc(C(F)(F)F)ccn12)N1CCC(c2ccccc2C(F)(F)F)CC1.O=C(c1nnc2ccc(C(F)(F)F)cn12)N1CCC(c2ccccc2C(F)(F)F)CC1.O=C(c1nnc2ccc(Cl)cn12)N1CCC(c2ccccc2C(F)(F)F)CC1
• InChI: InChI=1S/C21H21F3N4O2.2C20H16F6N4O.C20H19F3N4O.C19H16ClF3N4O.5CH4/c1-2-30-15-7-8-18-25-26-19(28(18)13-15)20(29)27-11-9-14(10-12-27)16-5-3-4-6-17(16)21(22,23)24;21-19(22,23)13-7-10-30-16(11-13)27-28-17(30)18(31)29-8-5-12(6-9-29)14-3-1-2-4-15(14)20(24,25)26;21-19(22,23)13-5-6-16-27-28-17(30(16)11-13)18(31)29-9-7-12(8-10-29)14-3-1-2-4-15(14)20(24,25)26;1-13-6-7-17-24-25-18(27(17)12-13)19(28)26-10-8-14(9-11-26)15-4-2-3-5-16(15)20(21,22)23;20-13-5-6-16-24-25-17(27(16)11-13)18(28)26-9-7-12(8-10-26)14-3-1-2-4-15(14)19(21,22)23;;;;;/h3-8,13-14H,2,9-12H2,1H3;1-4,7,10-12H,5-6,8-9H2;1-6,11-12H,7-10H2;2-7,12,14H,8-11H2,1H3;1-6,11-12H,7-10H2;5*1H4
• InChIKey: ZDQHYRRFVXLXFU-UHFFFAOYSA-N
• XLogP: 25.42
• TPSA: 261.73 Ų
• H-Bond Acceptors: 21
• Rotatable Bonds: 12
• Heavy Atoms: 153
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2180.56
LogP ≤ 5	25.42
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	21

Frequently Asked Questions

What is the IUPAC name of (6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(6-ethoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;methane;(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methanone;[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]-[7-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methanone?

The IUPAC name of (6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(6-ethoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;methane;(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methanone;[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]-[7-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methanone (CID 162091253) is (6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(6-ethoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;methane;(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methanone;[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]-[7-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methanone.

What is the SMILES notation for (6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(6-ethoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;methane;(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methanone;[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]-[7-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methanone?

The canonical SMILES for (6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(6-ethoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;methane;(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methanone;[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]-[7-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methanone is C.C.C.C.C.CCOc1ccc2nnc(C(=O)N3CCC(c4ccccc4C(F)(F)F)CC3)n2c1.Cc1ccc2nnc(C(=O)N3CCC(c4ccccc4C(F)(F)F)CC3)n2c1.O=C(c1nnc2cc(C(F)(F)F)ccn12)N1CCC(c2ccccc2C(F)(F)F)CC1.O=C(c1nnc2ccc(C(F)(F)F)cn12)N1CCC(c2ccccc2C(F)(F)F)CC1.O=C(c1nnc2ccc(Cl)cn12)N1CCC(c2ccccc2C(F)(F)F)CC1.

What is the InChIKey of (6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(6-ethoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;methane;(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methanone;[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]-[7-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methanone?

The InChIKey is ZDQHYRRFVXLXFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F3N4O2.2C20H16F6N4O.C20H19F3N4O.C19H16ClF3N4O.5CH4/c1-2-30-15-7-8-18-25-26-19(28(18)13-15)20(29)27-11-9-14(10-12-27)16-5-3-4-6-17(16)21(22,23)24;21-19(22,23)13-7-10-30-16(11-13)27-28-17(30)18(31)29-8-5-12(6-9-29)14-3-1-2-4-15(14)20(24,25)26;21-19(22,23)13-5-6-16-27-28-17(30(16)11-13)18(31)29-9-7-12(8-10-29)14-3-1-2-4-15(14)20(24,25)26;1-13-6-7-17-24-25-18(27(17)12-13)19(28)26-10-8-14(9-11-26)15-4-2-3-5-16(15)20(21,22)23;20-13-5-6-16-24-25-17(27(16)11-13)18(28)26-9-7-12(8-10-26)14-3-1-2-4-15(14)19(21,22)23;;;;;/h3-8,13-14H,2,9-12H2,1H3;1-4,7,10-12H,5-6,8-9H2;1-6,11-12H,7-10H2;2-7,12,14H,8-11H2,1H3;1-6,11-12H,7-10H2;5*1H4.

What are the key properties of (6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(6-ethoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;methane;(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methanone;[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]-[7-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methanone?

(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(6-ethoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;methane;(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methanone;[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]-[7-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methanone has a molecular weight of 2180.56 g/mol, XLogP of 25.42, 12 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for (6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(6-ethoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;methane;(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methanone;[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]-[7-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methanone is sourced from PubChem (CID 162091253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).