8-chloro-3-(cyclopropylmethyl)-7-[4-(2,4-difluorophenyl)piperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyridine;8-chloro-7-(4-fluoro-4-phenylpiperidin-1-yl)-3-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[4,3-a]pyridine;1'-[8-chloro-3-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-3,3-dimethylspiro[2-benzofuran-1,4'-piperidine];3-(cyclopropylmethyl)-7-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;1'-[3-(cyclopropylmethyl)-8-methyl-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-5-fluoro-3,3-dimethylspiro[2-benzofuran-1,4'-piperidine];3-(cyclopropylmethyl)-7-(4-pyrimidin-2-ylpiperazin-1-yl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine

C126H131Cl3F16N30O3 — CID 164988024

About 8-chloro-3-(cyclopropylmethyl)-7-[4-(2,4-difluorophenyl)piperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyridine;8-chloro-7-(4-fluoro-4-phenylpiperidin-1-yl)-3-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[4,3-a]pyridine;1'-[8-chloro-3-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-3,3-dimethylspiro[2-benzofuran-1,4'-piperidine];3-(cyclopropylmethyl)-7-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;1'-[3-(cyclopropylmethyl)-8-methyl-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-5-fluoro-3,3-dimethylspiro[2-benzofuran-1,4'-piperidine];3-(cyclopropylmethyl)-7-(4-pyrimidin-2-ylpiperazin-1-yl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine

8-chloro-3-(cyclopropylmethyl)-7-[4-(2,4-difluorophenyl)piperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyridine;8-chloro-7-(4-fluoro-4-phenylpiperidin-1-yl)-3-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[4,3-a]pyridine;1'-[8-chloro-3-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-3,3-dimethylspiro[2-benzofuran-1,4'-piperidine];3-(cyclopropylmethyl)-7-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;1'-[3-(cyclopropylmethyl)-8-methyl-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-5-fluoro-3,3-dimethylspiro[2-benzofuran-1,4'-piperidine];3-(cyclopropylmethyl)-7-(4-pyrimidin-2-ylpiperazin-1-yl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 164988024) has the molecular formula C126H131Cl3F16N30O3 and a molecular weight of 2523.97 g/mol. Its IUPAC name is 8-chloro-3-(cyclopropylmethyl)-7-[4-(2,4-difluorophenyl)piperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyridine;8-chloro-7-(4-fluoro-4-phenylpiperidin-1-yl)-3-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[4,3-a]pyridine;1'-[8-chloro-3-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-3,3-dimethylspiro[2-benzofuran-1,4'-piperidine];3-(cyclopropylmethyl)-7-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;1'-[3-(cyclopropylmethyl)-8-methyl-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-5-fluoro-3,3-dimethylspiro[2-benzofuran-1,4'-piperidine];3-(cyclopropylmethyl)-7-(4-pyrimidin-2-ylpiperazin-1-yl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

• Compound Name: 8-chloro-3-(cyclopropylmethyl)-7-[4-(2,4-difluorophenyl)piperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyridine;8-chloro-7-(4-fluoro-4-phenylpiperidin-1-yl)-3-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[4,3-a]pyridine;1'-[8-chloro-3-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-3,3-dimethylspiro[2-benzofuran-1,4'-piperidine];3-(cyclopropylmethyl)-7-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;1'-[3-(cyclopropylmethyl)-8-methyl-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-5-fluoro-3,3-dimethylspiro[2-benzofuran-1,4'-piperidine];3-(cyclopropylmethyl)-7-(4-pyrimidin-2-ylpiperazin-1-yl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine
• PubChem CID: 164988024
• Molecular Formula: C126H131Cl3F16N30O3
• Molecular Weight: 2523.97 g/mol
• Exact Mass: 2520.98
• IUPAC Name: 8-chloro-3-(cyclopropylmethyl)-7-[4-(2,4-difluorophenyl)piperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyridine;8-chloro-7-(4-fluoro-4-phenylpiperidin-1-yl)-3-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[4,3-a]pyridine;1'-[8-chloro-3-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-3,3-dimethylspiro[2-benzofuran-1,4'-piperidine];3-(cyclopropylmethyl)-7-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;1'-[3-(cyclopropylmethyl)-8-methyl-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-5-fluoro-3,3-dimethylspiro[2-benzofuran-1,4'-piperidine];3-(cyclopropylmethyl)-7-(4-pyrimidin-2-ylpiperazin-1-yl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine
• SMILES: CC1(C)OC2(CCN(c3ccn4c(CC(F)(F)F)nnc4c3Cl)CC2)c2ccccc21.COc1cnc(N2CCN(c3ccn4c(CC5CC5)nnc4c3C(F)(F)F)CC2)nc1.Cc1c(N2CCC3(CC2)OC(C)(C)c2cc(F)ccc23)ccn2c(CC3CC3)nnc12.FC(F)(F)Cc1nnc2c(Cl)c(N3CCC(F)(c4ccccc4)CC3)ccn12.FC(F)(F)c1c(N2CCN(c3ncccn3)CC2)ccn2c(CC3CC3)nnc12.Fc1ccc(C2CCN(c3ccn4c(CC5CC5)nnc4c3Cl)CC2)c(F)c1
• InChI: InChI=1S/C25H29FN4O.C22H22ClF3N4O.C21H21ClF2N4.C20H22F3N7O.C19H17ClF4N4.C19H20F3N7/c1-16-21(8-11-30-22(14-17-4-5-17)27-28-23(16)30)29-12-9-25(10-13-29)19-7-6-18(26)15-20(19)24(2,3)31-25;1-20(2)14-5-3-4-6-15(14)21(31-20)8-11-29(12-9-21)16-7-10-30-17(13-22(24,25)26)27-28-19(30)18(16)23;22-20-18(7-10-28-19(11-13-1-2-13)25-26-21(20)28)27-8-5-14(6-9-27)16-4-3-15(23)12-17(16)24;1-31-14-11-24-19(25-12-14)29-8-6-28(7-9-29)15-4-5-30-16(10-13-2-3-13)26-27-18(30)17(15)20(21,22)23;20-16-14(6-9-28-15(12-19(22,23)24)25-26-17(16)28)27-10-7-18(21,8-11-27)13-4-2-1-3-5-13;20-19(21,22)16-14(4-7-29-15(12-13-2-3-13)25-26-17(16)29)27-8-10-28(11-9-27)18-23-5-1-6-24-18/h6-8,11,15,17H,4-5,9-10,12-14H2,1-3H3;3-7,10H,8-9,11-13H2,1-2H3;3-4,7,10,12-14H,1-2,5-6,8-9,11H2;4-5,11-13H,2-3,6-10H2,1H3;1-6,9H,7-8,10-12H2;1,4-7,13H,2-3,8-12H2
• InChIKey: GLGTUYDFJIHDRU-UHFFFAOYSA-N
• XLogP: 25.73
• TPSA: 286.31 Ų
• H-Bond Acceptors: 33
• Rotatable Bonds: 21
• Heavy Atoms: 178
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2523.97
LogP ≤ 5	25.73
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	33

Frequently Asked Questions

What is the IUPAC name of 8-chloro-3-(cyclopropylmethyl)-7-[4-(2,4-difluorophenyl)piperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyridine;8-chloro-7-(4-fluoro-4-phenylpiperidin-1-yl)-3-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[4,3-a]pyridine;1'-[8-chloro-3-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-3,3-dimethylspiro[2-benzofuran-1,4'-piperidine];3-(cyclopropylmethyl)-7-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;1'-[3-(cyclopropylmethyl)-8-methyl-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-5-fluoro-3,3-dimethylspiro[2-benzofuran-1,4'-piperidine];3-(cyclopropylmethyl)-7-(4-pyrimidin-2-ylpiperazin-1-yl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine?

The IUPAC name of 8-chloro-3-(cyclopropylmethyl)-7-[4-(2,4-difluorophenyl)piperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyridine;8-chloro-7-(4-fluoro-4-phenylpiperidin-1-yl)-3-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[4,3-a]pyridine;1'-[8-chloro-3-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-3,3-dimethylspiro[2-benzofuran-1,4'-piperidine];3-(cyclopropylmethyl)-7-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;1'-[3-(cyclopropylmethyl)-8-methyl-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-5-fluoro-3,3-dimethylspiro[2-benzofuran-1,4'-piperidine];3-(cyclopropylmethyl)-7-(4-pyrimidin-2-ylpiperazin-1-yl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine (CID 164988024) is 8-chloro-3-(cyclopropylmethyl)-7-[4-(2,4-difluorophenyl)piperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyridine;8-chloro-7-(4-fluoro-4-phenylpiperidin-1-yl)-3-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[4,3-a]pyridine;1'-[8-chloro-3-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-3,3-dimethylspiro[2-benzofuran-1,4'-piperidine];3-(cyclopropylmethyl)-7-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;1'-[3-(cyclopropylmethyl)-8-methyl-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-5-fluoro-3,3-dimethylspiro[2-benzofuran-1,4'-piperidine];3-(cyclopropylmethyl)-7-(4-pyrimidin-2-ylpiperazin-1-yl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine.

What is the SMILES notation for 8-chloro-3-(cyclopropylmethyl)-7-[4-(2,4-difluorophenyl)piperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyridine;8-chloro-7-(4-fluoro-4-phenylpiperidin-1-yl)-3-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[4,3-a]pyridine;1'-[8-chloro-3-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-3,3-dimethylspiro[2-benzofuran-1,4'-piperidine];3-(cyclopropylmethyl)-7-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;1'-[3-(cyclopropylmethyl)-8-methyl-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-5-fluoro-3,3-dimethylspiro[2-benzofuran-1,4'-piperidine];3-(cyclopropylmethyl)-7-(4-pyrimidin-2-ylpiperazin-1-yl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine?

The canonical SMILES for 8-chloro-3-(cyclopropylmethyl)-7-[4-(2,4-difluorophenyl)piperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyridine;8-chloro-7-(4-fluoro-4-phenylpiperidin-1-yl)-3-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[4,3-a]pyridine;1'-[8-chloro-3-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-3,3-dimethylspiro[2-benzofuran-1,4'-piperidine];3-(cyclopropylmethyl)-7-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;1'-[3-(cyclopropylmethyl)-8-methyl-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-5-fluoro-3,3-dimethylspiro[2-benzofuran-1,4'-piperidine];3-(cyclopropylmethyl)-7-(4-pyrimidin-2-ylpiperazin-1-yl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine is CC1(C)OC2(CCN(c3ccn4c(CC(F)(F)F)nnc4c3Cl)CC2)c2ccccc21.COc1cnc(N2CCN(c3ccn4c(CC5CC5)nnc4c3C(F)(F)F)CC2)nc1.Cc1c(N2CCC3(CC2)OC(C)(C)c2cc(F)ccc23)ccn2c(CC3CC3)nnc12.FC(F)(F)Cc1nnc2c(Cl)c(N3CCC(F)(c4ccccc4)CC3)ccn12.FC(F)(F)c1c(N2CCN(c3ncccn3)CC2)ccn2c(CC3CC3)nnc12.Fc1ccc(C2CCN(c3ccn4c(CC5CC5)nnc4c3Cl)CC2)c(F)c1.

What is the InChIKey of 8-chloro-3-(cyclopropylmethyl)-7-[4-(2,4-difluorophenyl)piperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyridine;8-chloro-7-(4-fluoro-4-phenylpiperidin-1-yl)-3-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[4,3-a]pyridine;1'-[8-chloro-3-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-3,3-dimethylspiro[2-benzofuran-1,4'-piperidine];3-(cyclopropylmethyl)-7-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;1'-[3-(cyclopropylmethyl)-8-methyl-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-5-fluoro-3,3-dimethylspiro[2-benzofuran-1,4'-piperidine];3-(cyclopropylmethyl)-7-(4-pyrimidin-2-ylpiperazin-1-yl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine?

The InChIKey is GLGTUYDFJIHDRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29FN4O.C22H22ClF3N4O.C21H21ClF2N4.C20H22F3N7O.C19H17ClF4N4.C19H20F3N7/c1-16-21(8-11-30-22(14-17-4-5-17)27-28-23(16)30)29-12-9-25(10-13-29)19-7-6-18(26)15-20(19)24(2,3)31-25;1-20(2)14-5-3-4-6-15(14)21(31-20)8-11-29(12-9-21)16-7-10-30-17(13-22(24,25)26)27-28-19(30)18(16)23;22-20-18(7-10-28-19(11-13-1-2-13)25-26-21(20)28)27-8-5-14(6-9-27)16-4-3-15(23)12-17(16)24;1-31-14-11-24-19(25-12-14)29-8-6-28(7-9-29)15-4-5-30-16(10-13-2-3-13)26-27-18(30)17(15)20(21,22)23;20-16-14(6-9-28-15(12-19(22,23)24)25-26-17(16)28)27-10-7-18(21,8-11-27)13-4-2-1-3-5-13;20-19(21,22)16-14(4-7-29-15(12-13-2-3-13)25-26-17(16)29)27-8-10-28(11-9-27)18-23-5-1-6-24-18/h6-8,11,15,17H,4-5,9-10,12-14H2,1-3H3;3-7,10H,8-9,11-13H2,1-2H3;3-4,7,10,12-14H,1-2,5-6,8-9,11H2;4-5,11-13H,2-3,6-10H2,1H3;1-6,9H,7-8,10-12H2;1,4-7,13H,2-3,8-12H2.

What are the key properties of 8-chloro-3-(cyclopropylmethyl)-7-[4-(2,4-difluorophenyl)piperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyridine;8-chloro-7-(4-fluoro-4-phenylpiperidin-1-yl)-3-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[4,3-a]pyridine;1'-[8-chloro-3-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-3,3-dimethylspiro[2-benzofuran-1,4'-piperidine];3-(cyclopropylmethyl)-7-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;1'-[3-(cyclopropylmethyl)-8-methyl-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-5-fluoro-3,3-dimethylspiro[2-benzofuran-1,4'-piperidine];3-(cyclopropylmethyl)-7-(4-pyrimidin-2-ylpiperazin-1-yl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine?

8-chloro-3-(cyclopropylmethyl)-7-[4-(2,4-difluorophenyl)piperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyridine;8-chloro-7-(4-fluoro-4-phenylpiperidin-1-yl)-3-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[4,3-a]pyridine;1'-[8-chloro-3-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-3,3-dimethylspiro[2-benzofuran-1,4'-piperidine];3-(cyclopropylmethyl)-7-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;1'-[3-(cyclopropylmethyl)-8-methyl-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-5-fluoro-3,3-dimethylspiro[2-benzofuran-1,4'-piperidine];3-(cyclopropylmethyl)-7-(4-pyrimidin-2-ylpiperazin-1-yl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 2523.97 g/mol, XLogP of 25.73, 21 rotatable bonds, 0 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 8-chloro-3-(cyclopropylmethyl)-7-[4-(2,4-difluorophenyl)piperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyridine;8-chloro-7-(4-fluoro-4-phenylpiperidin-1-yl)-3-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[4,3-a]pyridine;1'-[8-chloro-3-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-3,3-dimethylspiro[2-benzofuran-1,4'-piperidine];3-(cyclopropylmethyl)-7-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;1'-[3-(cyclopropylmethyl)-8-methyl-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-5-fluoro-3,3-dimethylspiro[2-benzofuran-1,4'-piperidine];3-(cyclopropylmethyl)-7-(4-pyrimidin-2-ylpiperazin-1-yl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 164988024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).