5-[4-(8-cyclopropyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-1-bicyclo[2.2.2]octanyl]-3-(4-methylphenyl)-1,2,4-oxadiazole;2-methyl-2-[3-[1-(4-methylphenyl)cyclobutyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propanamide;2-[3-[1-(4-methylphenyl)cyclobutyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-amine;3-[1-(4-methylphenyl)cyclobutyl]-8-[2-(4H-triazol-5-yl)propan-2-yl]-[1,2,4]triazolo[4,3-a]pyridine;2-[3-[1-(4-methylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;2-[3-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-1-bicyclo[2.2.2]octanyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol

C134H149N27O5 — CID 158100867

About 5-[4-(8-cyclopropyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-1-bicyclo[2.2.2]octanyl]-3-(4-methylphenyl)-1,2,4-oxadiazole;2-methyl-2-[3-[1-(4-methylphenyl)cyclobutyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propanamide;2-[3-[1-(4-methylphenyl)cyclobutyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-amine;3-[1-(4-methylphenyl)cyclobutyl]-8-[2-(4H-triazol-5-yl)propan-2-yl]-[1,2,4]triazolo[4,3-a]pyridine;2-[3-[1-(4-methylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;2-[3-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-1-bicyclo[2.2.2]octanyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol

5-[4-(8-cyclopropyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-1-bicyclo[2.2.2]octanyl]-3-(4-methylphenyl)-1,2,4-oxadiazole;2-methyl-2-[3-[1-(4-methylphenyl)cyclobutyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propanamide;2-[3-[1-(4-methylphenyl)cyclobutyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-amine;3-[1-(4-methylphenyl)cyclobutyl]-8-[2-(4H-triazol-5-yl)propan-2-yl]-[1,2,4]triazolo[4,3-a]pyridine;2-[3-[1-(4-methylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;2-[3-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-1-bicyclo[2.2.2]octanyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol (PubChem CID 158100867) has the molecular formula C134H149N27O5 and a molecular weight of 2217.85 g/mol. Its IUPAC name is 5-[4-(8-cyclopropyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-1-bicyclo[2.2.2]octanyl]-3-(4-methylphenyl)-1,2,4-oxadiazole;2-methyl-2-[3-[1-(4-methylphenyl)cyclobutyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propanamide;2-[3-[1-(4-methylphenyl)cyclobutyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-amine;3-[1-(4-methylphenyl)cyclobutyl]-8-[2-(4H-triazol-5-yl)propan-2-yl]-[1,2,4]triazolo[4,3-a]pyridine;2-[3-[1-(4-methylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;2-[3-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-1-bicyclo[2.2.2]octanyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol.

Molecular Properties

• Compound Name: 5-[4-(8-cyclopropyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-1-bicyclo[2.2.2]octanyl]-3-(4-methylphenyl)-1,2,4-oxadiazole;2-methyl-2-[3-[1-(4-methylphenyl)cyclobutyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propanamide;2-[3-[1-(4-methylphenyl)cyclobutyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-amine;3-[1-(4-methylphenyl)cyclobutyl]-8-[2-(4H-triazol-5-yl)propan-2-yl]-[1,2,4]triazolo[4,3-a]pyridine;2-[3-[1-(4-methylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;2-[3-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-1-bicyclo[2.2.2]octanyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol
• PubChem CID: 158100867
• Molecular Formula: C134H149N27O5
• Molecular Weight: 2217.85 g/mol
• Exact Mass: 2216.22
• IUPAC Name: 5-[4-(8-cyclopropyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-1-bicyclo[2.2.2]octanyl]-3-(4-methylphenyl)-1,2,4-oxadiazole;2-methyl-2-[3-[1-(4-methylphenyl)cyclobutyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propanamide;2-[3-[1-(4-methylphenyl)cyclobutyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-amine;3-[1-(4-methylphenyl)cyclobutyl]-8-[2-(4H-triazol-5-yl)propan-2-yl]-[1,2,4]triazolo[4,3-a]pyridine;2-[3-[1-(4-methylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;2-[3-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-1-bicyclo[2.2.2]octanyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol
• SMILES: Cc1ccc(-c2noc(C34CCC(c5nnc6c(C(C)(C)O)cccn56)(CC3)CC4)n2)cc1.Cc1ccc(-c2noc(C34CCC(c5nnc6c(C7CC7)cccn56)(CC3)CC4)n2)cc1.Cc1ccc(C2(c3nnc4c(C(C)(C)C(N)=O)cccn34)CCC2)cc1.Cc1ccc(C2(c3nnc4c(C(C)(C)C5=NN=NC5)cccn34)CCC2)cc1.Cc1ccc(C2(c3nnc4c(C(C)(C)N)cccn34)CCC2)cc1.Cc1ccc(C2(c3nnc4c(C(C)(C)O)cccn34)CC2)cc1
• InChI: InChI=1S/C26H29N5O2.C26H27N5O.C22H24N6.C21H24N4O.C20H24N4.C19H21N3O/c1-17-6-8-18(9-7-17)20-27-23(33-30-20)26-13-10-25(11-14-26,12-15-26)22-29-28-21-19(24(2,3)32)5-4-16-31(21)22;1-17-4-6-19(7-5-17)21-27-24(32-30-21)26-13-10-25(11-14-26,12-15-26)23-29-28-22-20(18-8-9-18)3-2-16-31(22)23;1-15-7-9-16(10-8-15)22(11-5-12-22)20-26-25-19-17(6-4-13-28(19)20)21(2,3)18-14-23-27-24-18;1-14-7-9-15(10-8-14)21(11-5-12-21)19-24-23-17-16(6-4-13-25(17)19)20(2,3)18(22)26;1-14-7-9-15(10-8-14)20(11-5-12-20)18-23-22-17-16(19(2,3)21)6-4-13-24(17)18;1-13-6-8-14(9-7-13)19(10-11-19)17-21-20-16-15(18(2,3)23)5-4-12-22(16)17/h4-9,16,32H,10-15H2,1-3H3;2-7,16,18H,8-15H2,1H3;4,6-10,13H,5,11-12,14H2,1-3H3;4,6-10,13H,5,11-12H2,1-3H3,(H2,22,26);4,6-10,13H,5,11-12,21H2,1-3H3;4-9,12,23H,10-11H2,1-3H3
• InChIKey: FPFVHUATXCWXAU-UHFFFAOYSA-N
• XLogP: 25.29
• TPSA: 405.63 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 31
• Rotatable Bonds: 22
• Heavy Atoms: 166
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2217.85
LogP ≤ 5	25.29
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	31

Frequently Asked Questions

What is the IUPAC name of 5-[4-(8-cyclopropyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-1-bicyclo[2.2.2]octanyl]-3-(4-methylphenyl)-1,2,4-oxadiazole;2-methyl-2-[3-[1-(4-methylphenyl)cyclobutyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propanamide;2-[3-[1-(4-methylphenyl)cyclobutyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-amine;3-[1-(4-methylphenyl)cyclobutyl]-8-[2-(4H-triazol-5-yl)propan-2-yl]-[1,2,4]triazolo[4,3-a]pyridine;2-[3-[1-(4-methylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;2-[3-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-1-bicyclo[2.2.2]octanyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol?

The IUPAC name of 5-[4-(8-cyclopropyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-1-bicyclo[2.2.2]octanyl]-3-(4-methylphenyl)-1,2,4-oxadiazole;2-methyl-2-[3-[1-(4-methylphenyl)cyclobutyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propanamide;2-[3-[1-(4-methylphenyl)cyclobutyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-amine;3-[1-(4-methylphenyl)cyclobutyl]-8-[2-(4H-triazol-5-yl)propan-2-yl]-[1,2,4]triazolo[4,3-a]pyridine;2-[3-[1-(4-methylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;2-[3-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-1-bicyclo[2.2.2]octanyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol (CID 158100867) is 5-[4-(8-cyclopropyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-1-bicyclo[2.2.2]octanyl]-3-(4-methylphenyl)-1,2,4-oxadiazole;2-methyl-2-[3-[1-(4-methylphenyl)cyclobutyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propanamide;2-[3-[1-(4-methylphenyl)cyclobutyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-amine;3-[1-(4-methylphenyl)cyclobutyl]-8-[2-(4H-triazol-5-yl)propan-2-yl]-[1,2,4]triazolo[4,3-a]pyridine;2-[3-[1-(4-methylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;2-[3-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-1-bicyclo[2.2.2]octanyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol.

What is the SMILES notation for 5-[4-(8-cyclopropyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-1-bicyclo[2.2.2]octanyl]-3-(4-methylphenyl)-1,2,4-oxadiazole;2-methyl-2-[3-[1-(4-methylphenyl)cyclobutyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propanamide;2-[3-[1-(4-methylphenyl)cyclobutyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-amine;3-[1-(4-methylphenyl)cyclobutyl]-8-[2-(4H-triazol-5-yl)propan-2-yl]-[1,2,4]triazolo[4,3-a]pyridine;2-[3-[1-(4-methylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;2-[3-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-1-bicyclo[2.2.2]octanyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol?

The canonical SMILES for 5-[4-(8-cyclopropyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-1-bicyclo[2.2.2]octanyl]-3-(4-methylphenyl)-1,2,4-oxadiazole;2-methyl-2-[3-[1-(4-methylphenyl)cyclobutyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propanamide;2-[3-[1-(4-methylphenyl)cyclobutyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-amine;3-[1-(4-methylphenyl)cyclobutyl]-8-[2-(4H-triazol-5-yl)propan-2-yl]-[1,2,4]triazolo[4,3-a]pyridine;2-[3-[1-(4-methylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;2-[3-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-1-bicyclo[2.2.2]octanyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol is Cc1ccc(-c2noc(C34CCC(c5nnc6c(C(C)(C)O)cccn56)(CC3)CC4)n2)cc1.Cc1ccc(-c2noc(C34CCC(c5nnc6c(C7CC7)cccn56)(CC3)CC4)n2)cc1.Cc1ccc(C2(c3nnc4c(C(C)(C)C(N)=O)cccn34)CCC2)cc1.Cc1ccc(C2(c3nnc4c(C(C)(C)C5=NN=NC5)cccn34)CCC2)cc1.Cc1ccc(C2(c3nnc4c(C(C)(C)N)cccn34)CCC2)cc1.Cc1ccc(C2(c3nnc4c(C(C)(C)O)cccn34)CC2)cc1.

What is the InChIKey of 5-[4-(8-cyclopropyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-1-bicyclo[2.2.2]octanyl]-3-(4-methylphenyl)-1,2,4-oxadiazole;2-methyl-2-[3-[1-(4-methylphenyl)cyclobutyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propanamide;2-[3-[1-(4-methylphenyl)cyclobutyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-amine;3-[1-(4-methylphenyl)cyclobutyl]-8-[2-(4H-triazol-5-yl)propan-2-yl]-[1,2,4]triazolo[4,3-a]pyridine;2-[3-[1-(4-methylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;2-[3-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-1-bicyclo[2.2.2]octanyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol?

The InChIKey is FPFVHUATXCWXAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N5O2.C26H27N5O.C22H24N6.C21H24N4O.C20H24N4.C19H21N3O/c1-17-6-8-18(9-7-17)20-27-23(33-30-20)26-13-10-25(11-14-26,12-15-26)22-29-28-21-19(24(2,3)32)5-4-16-31(21)22;1-17-4-6-19(7-5-17)21-27-24(32-30-21)26-13-10-25(11-14-26,12-15-26)23-29-28-22-20(18-8-9-18)3-2-16-31(22)23;1-15-7-9-16(10-8-15)22(11-5-12-22)20-26-25-19-17(6-4-13-28(19)20)21(2,3)18-14-23-27-24-18;1-14-7-9-15(10-8-14)21(11-5-12-21)19-24-23-17-16(6-4-13-25(17)19)20(2,3)18(22)26;1-14-7-9-15(10-8-14)20(11-5-12-20)18-23-22-17-16(19(2,3)21)6-4-13-24(17)18;1-13-6-8-14(9-7-13)19(10-11-19)17-21-20-16-15(18(2,3)23)5-4-12-22(16)17/h4-9,16,32H,10-15H2,1-3H3;2-7,16,18H,8-15H2,1H3;4,6-10,13H,5,11-12,14H2,1-3H3;4,6-10,13H,5,11-12H2,1-3H3,(H2,22,26);4,6-10,13H,5,11-12,21H2,1-3H3;4-9,12,23H,10-11H2,1-3H3.

What are the key properties of 5-[4-(8-cyclopropyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-1-bicyclo[2.2.2]octanyl]-3-(4-methylphenyl)-1,2,4-oxadiazole;2-methyl-2-[3-[1-(4-methylphenyl)cyclobutyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propanamide;2-[3-[1-(4-methylphenyl)cyclobutyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-amine;3-[1-(4-methylphenyl)cyclobutyl]-8-[2-(4H-triazol-5-yl)propan-2-yl]-[1,2,4]triazolo[4,3-a]pyridine;2-[3-[1-(4-methylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;2-[3-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-1-bicyclo[2.2.2]octanyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol?

5-[4-(8-cyclopropyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-1-bicyclo[2.2.2]octanyl]-3-(4-methylphenyl)-1,2,4-oxadiazole;2-methyl-2-[3-[1-(4-methylphenyl)cyclobutyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propanamide;2-[3-[1-(4-methylphenyl)cyclobutyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-amine;3-[1-(4-methylphenyl)cyclobutyl]-8-[2-(4H-triazol-5-yl)propan-2-yl]-[1,2,4]triazolo[4,3-a]pyridine;2-[3-[1-(4-methylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;2-[3-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-1-bicyclo[2.2.2]octanyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol has a molecular weight of 2217.85 g/mol, XLogP of 25.29, 22 rotatable bonds, 4 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-(8-cyclopropyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-1-bicyclo[2.2.2]octanyl]-3-(4-methylphenyl)-1,2,4-oxadiazole;2-methyl-2-[3-[1-(4-methylphenyl)cyclobutyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propanamide;2-[3-[1-(4-methylphenyl)cyclobutyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-amine;3-[1-(4-methylphenyl)cyclobutyl]-8-[2-(4H-triazol-5-yl)propan-2-yl]-[1,2,4]triazolo[4,3-a]pyridine;2-[3-[1-(4-methylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;2-[3-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-1-bicyclo[2.2.2]octanyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol is sourced from PubChem (CID 158100867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).