tert-butyl 4-[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]piperazine-1-carboxylate;5-(4-methoxyphenyl)-2-[(4-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine;3-[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]-N,N-dimethylpropan-1-amine;1-[3-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]ethanone;4-[3-[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]propyl]morpholine

C124H129N19O9 — CID 157309715

About tert-butyl 4-[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]piperazine-1-carboxylate;5-(4-methoxyphenyl)-2-[(4-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine;3-[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]-N,N-dimethylpropan-1-amine;1-[3-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]ethanone;4-[3-[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]propyl]morpholine

tert-butyl 4-[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]piperazine-1-carboxylate;5-(4-methoxyphenyl)-2-[(4-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine;3-[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]-N,N-dimethylpropan-1-amine;1-[3-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]ethanone;4-[3-[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]propyl]morpholine (PubChem CID 157309715) has the molecular formula C124H129N19O9 and a molecular weight of 2029.52 g/mol. Its IUPAC name is tert-butyl 4-[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]piperazine-1-carboxylate;5-(4-methoxyphenyl)-2-[(4-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine;3-[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]-N,N-dimethylpropan-1-amine;1-[3-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]ethanone;4-[3-[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]propyl]morpholine.

Molecular Properties

• Compound Name: tert-butyl 4-[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]piperazine-1-carboxylate;5-(4-methoxyphenyl)-2-[(4-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine;3-[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]-N,N-dimethylpropan-1-amine;1-[3-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]ethanone;4-[3-[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]propyl]morpholine
• PubChem CID: 157309715
• Molecular Formula: C124H129N19O9
• Molecular Weight: 2029.52 g/mol
• Exact Mass: 2028.02
• IUPAC Name: tert-butyl 4-[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]piperazine-1-carboxylate;5-(4-methoxyphenyl)-2-[(4-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine;3-[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]-N,N-dimethylpropan-1-amine;1-[3-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]ethanone;4-[3-[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]propyl]morpholine
• SMILES: COc1ccc(-c2cccc3nc(Cc4ccc(C)cc4)nn23)cc1.COc1ccc(-c2cccc3nc(Cc4ccc(CCCN(C)C)cc4)nn23)cc1.COc1ccc(-c2cccc3nc(Cc4ccc(CCCN5CCOCC5)cc4)nn23)cc1.COc1ccc(-c2cccc3nc(Cc4ccc(N5CCN(C(=O)OC(C)(C)C)CC5)cc4)nn23)cc1.COc1ccc(-c2cccc3nc(Cc4cccc(C(C)=O)c4)nn23)cc1
• InChI: InChI=1S/C29H33N5O3.C27H30N4O2.C25H28N4O.C22H19N3O2.C21H19N3O/c1-29(2,3)37-28(35)33-18-16-32(17-19-33)23-12-8-21(9-13-23)20-26-30-27-7-5-6-25(34(27)31-26)22-10-14-24(36-4)15-11-22;1-32-24-13-11-23(12-14-24)25-5-2-6-27-28-26(29-31(25)27)20-22-9-7-21(8-10-22)4-3-15-30-16-18-33-19-17-30;1-28(2)17-5-6-19-9-11-20(12-10-19)18-24-26-25-8-4-7-23(29(25)27-24)21-13-15-22(30-3)16-14-21;1-15(26)18-6-3-5-16(13-18)14-21-23-22-8-4-7-20(25(22)24-21)17-9-11-19(27-2)12-10-17;1-15-6-8-16(9-7-15)14-20-22-21-5-3-4-19(24(21)23-20)17-10-12-18(25-2)13-11-17/h5-15H,16-20H2,1-4H3;2,5-14H,3-4,15-20H2,1H3;4,7-16H,5-6,17-18H2,1-3H3;3-13H,14H2,1-2H3;3-13H,14H2,1-2H3
• InChIKey: BCWZLYDRRKBEPX-UHFFFAOYSA-N
• XLogP: 22.31
• TPSA: 262.66 Ų
• H-Bond Acceptors: 27
• Rotatable Bonds: 30
• Heavy Atoms: 152
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2029.52
LogP ≤ 5	22.31
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]piperazine-1-carboxylate;5-(4-methoxyphenyl)-2-[(4-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine;3-[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]-N,N-dimethylpropan-1-amine;1-[3-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]ethanone;4-[3-[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]propyl]morpholine?

The IUPAC name of tert-butyl 4-[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]piperazine-1-carboxylate;5-(4-methoxyphenyl)-2-[(4-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine;3-[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]-N,N-dimethylpropan-1-amine;1-[3-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]ethanone;4-[3-[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]propyl]morpholine (CID 157309715) is tert-butyl 4-[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]piperazine-1-carboxylate;5-(4-methoxyphenyl)-2-[(4-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine;3-[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]-N,N-dimethylpropan-1-amine;1-[3-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]ethanone;4-[3-[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]propyl]morpholine.

What is the SMILES notation for tert-butyl 4-[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]piperazine-1-carboxylate;5-(4-methoxyphenyl)-2-[(4-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine;3-[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]-N,N-dimethylpropan-1-amine;1-[3-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]ethanone;4-[3-[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]propyl]morpholine?

The canonical SMILES for tert-butyl 4-[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]piperazine-1-carboxylate;5-(4-methoxyphenyl)-2-[(4-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine;3-[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]-N,N-dimethylpropan-1-amine;1-[3-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]ethanone;4-[3-[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]propyl]morpholine is COc1ccc(-c2cccc3nc(Cc4ccc(C)cc4)nn23)cc1.COc1ccc(-c2cccc3nc(Cc4ccc(CCCN(C)C)cc4)nn23)cc1.COc1ccc(-c2cccc3nc(Cc4ccc(CCCN5CCOCC5)cc4)nn23)cc1.COc1ccc(-c2cccc3nc(Cc4ccc(N5CCN(C(=O)OC(C)(C)C)CC5)cc4)nn23)cc1.COc1ccc(-c2cccc3nc(Cc4cccc(C(C)=O)c4)nn23)cc1.

What is the InChIKey of tert-butyl 4-[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]piperazine-1-carboxylate;5-(4-methoxyphenyl)-2-[(4-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine;3-[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]-N,N-dimethylpropan-1-amine;1-[3-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]ethanone;4-[3-[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]propyl]morpholine?

The InChIKey is BCWZLYDRRKBEPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33N5O3.C27H30N4O2.C25H28N4O.C22H19N3O2.C21H19N3O/c1-29(2,3)37-28(35)33-18-16-32(17-19-33)23-12-8-21(9-13-23)20-26-30-27-7-5-6-25(34(27)31-26)22-10-14-24(36-4)15-11-22;1-32-24-13-11-23(12-14-24)25-5-2-6-27-28-26(29-31(25)27)20-22-9-7-21(8-10-22)4-3-15-30-16-18-33-19-17-30;1-28(2)17-5-6-19-9-11-20(12-10-19)18-24-26-25-8-4-7-23(29(25)27-24)21-13-15-22(30-3)16-14-21;1-15(26)18-6-3-5-16(13-18)14-21-23-22-8-4-7-20(25(22)24-21)17-9-11-19(27-2)12-10-17;1-15-6-8-16(9-7-15)14-20-22-21-5-3-4-19(24(21)23-20)17-10-12-18(25-2)13-11-17/h5-15H,16-20H2,1-4H3;2,5-14H,3-4,15-20H2,1H3;4,7-16H,5-6,17-18H2,1-3H3;3-13H,14H2,1-2H3;3-13H,14H2,1-2H3.

What are the key properties of tert-butyl 4-[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]piperazine-1-carboxylate;5-(4-methoxyphenyl)-2-[(4-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine;3-[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]-N,N-dimethylpropan-1-amine;1-[3-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]ethanone;4-[3-[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]propyl]morpholine?

tert-butyl 4-[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]piperazine-1-carboxylate;5-(4-methoxyphenyl)-2-[(4-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine;3-[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]-N,N-dimethylpropan-1-amine;1-[3-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]ethanone;4-[3-[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]propyl]morpholine has a molecular weight of 2029.52 g/mol, XLogP of 22.31, 30 rotatable bonds, 0 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 4-[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]piperazine-1-carboxylate;5-(4-methoxyphenyl)-2-[(4-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine;3-[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]-N,N-dimethylpropan-1-amine;1-[3-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]ethanone;4-[3-[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]propyl]morpholine is sourced from PubChem (CID 157309715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).