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

C82H82Cl3F12N19O2 — CID 163907139

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

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 (PubChem CID 163907139) has the molecular formula C82H82Cl3F12N19O2 and a molecular weight of 1700.02 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.

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
• PubChem CID: 163907139
• Molecular Formula: C82H82Cl3F12N19O2
• Molecular Weight: 1700.02 g/mol
• Exact Mass: 1697.58
• 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
• SMILES: CC1(C)OC2(CCN(c3ccn4c(CC(F)(F)F)nnc4c3Cl)CC2)c2ccccc21.COc1cnc(N2CCN(c3ccn4c(CC5CC5)nnc4c3C(F)(F)F)CC2)nc1.FC(F)(F)Cc1nnc2c(Cl)c(N3CCC(F)(c4ccccc4)CC3)ccn12.Fc1ccc(C2CCN(c3ccn4c(CC5CC5)nnc4c3Cl)CC2)c(F)c1
• InChI: InChI=1S/C22H22ClF3N4O.C21H21ClF2N4.C20H22F3N7O.C19H17ClF4N4/c1-20(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/h3-7,10H,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
• InChIKey: QOXJWOAJLRXRBQ-UHFFFAOYSA-N
• XLogP: 18.02
• TPSA: 181.20 Ų
• H-Bond Acceptors: 21
• Rotatable Bonds: 14
• Heavy Atoms: 118
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1700.02
LogP ≤ 5	18.02
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	21

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?

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 (CID 163907139) 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.

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?

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 is CC1(C)OC2(CCN(c3ccn4c(CC(F)(F)F)nnc4c3Cl)CC2)c2ccccc21.COc1cnc(N2CCN(c3ccn4c(CC5CC5)nnc4c3C(F)(F)F)CC2)nc1.FC(F)(F)Cc1nnc2c(Cl)c(N3CCC(F)(c4ccccc4)CC3)ccn12.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?

The InChIKey is QOXJWOAJLRXRBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClF3N4O.C21H21ClF2N4.C20H22F3N7O.C19H17ClF4N4/c1-20(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/h3-7,10H,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.

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?

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 has a molecular weight of 1700.02 g/mol, XLogP of 18.02, 14 rotatable bonds, 0 hydrogen bond donors, and 21 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 is sourced from PubChem (CID 163907139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).