tert-butyl N-[2-[[4-[[5-(3-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoyl]amino]ethyl]carbamate;5-(4-methoxyphenyl)-N-(2-methyl-4-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-(4-methoxyphenyl)-N-(4-morpholin-4-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-(4-methoxyphenyl)-N-(6-piperidin-1-yl-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-N-[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-N,2-N-dimethylpyridine-2,5-diamine

C111H111ClN28O8 — CID 161043490

IUPACtert-butyl N-[2-[[4-[[5-(3-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoyl]amino]ethyl]carbamate;5-(4-methoxyphenyl)-N-(2-methyl-4-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-(4-methoxyphenyl)-N-(4-morpholin-4-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-(4-methoxyphenyl)-N-(6-piperidin-1-yl-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-N-[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-N,2-N-dimethylpyridine-2,5-diamine
SMILESCC(C)(C)OC(=O)NCCNC(=O)c1ccc(Nc2nc3cccc(-c4cccc(Cl)c4)n3n2)cc1.COc1ccc(-c2cccc3nc(Nc4ccc(N(C)C)nc4)nn23)cc1.COc1ccc(-c2cccc3nc(Nc4ccc(N5CCCCC5)nc4)nn23)cc1.COc1ccc(-c2cccc3nc(Nc4ccc(N5CCOCC5)cc4)nn23)cc1.COc1ccc(-c2cccc3nc(Nc4ccnc(C)c4)nn23)cc1
InChIInChI=1S/C26H27ClN6O3.C23H24N6O.C23H23N5O2.C20H20N6O.C19H17N5O/c1-26(2,3)36-25(35)29-15-14-28-23(34)17-10-12-20(13-11-17)30-24-31-22-9-5-8-21(33(22)32-24)18-6-4-7-19(27)16-18;1-30-19-11-8-17(9-12-19)20-6-5-7-22-26-23(27-29(20)22)25-18-10-13-21(24-16-18)28-14-3-2-4-15-28;1-29-20-11-5-17(6-12-20)21-3-2-4-22-25-23(26-28(21)22)24-18-7-9-19(10-8-18)27-13-15-30-16-14-27;1-25(2)18-12-9-15(13-21-18)22-20-23-19-6-4-5-17(26(19)24-20)14-7-10-16(27-3)11-8-14;1-13-12-15(10-11-20-13)21-19-22-18-5-3-4-17(24(18)23-19)14-6-8-16(25-2)9-7-14/h4-13,16H,14-15H2,1-3H3,(H,28,34)(H,29,35)(H,30,32);5-13,16H,2-4,14-15H2,1H3,(H,25,27);2-12H,13-16H2,1H3,(H,24,26);4-13H,1-3H3,(H,22,24);3-12H,1-2H3,(H,20,21,23)
InChIKeyUBENQMOGGYTQCM-UHFFFAOYSA-N
MW2000.75 g/mol
LogP21.03
Rot. Bonds26

About tert-butyl N-[2-[[4-[[5-(3-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoyl]amino]ethyl]carbamate;5-(4-methoxyphenyl)-N-(2-methyl-4-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-(4-methoxyphenyl)-N-(4-morpholin-4-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-(4-methoxyphenyl)-N-(6-piperidin-1-yl-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-N-[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-N,2-N-dimethylpyridine-2,5-diamine

tert-butyl N-[2-[[4-[[5-(3-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoyl]amino]ethyl]carbamate;5-(4-methoxyphenyl)-N-(2-methyl-4-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-(4-methoxyphenyl)-N-(4-morpholin-4-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-(4-methoxyphenyl)-N-(6-piperidin-1-yl-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-N-[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-N,2-N-dimethylpyridine-2,5-diamine (PubChem CID 161043490) has the molecular formula C111H111ClN28O8 and a molecular weight of 2000.75 g/mol. Its IUPAC name is tert-butyl N-[2-[[4-[[5-(3-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoyl]amino]ethyl]carbamate;5-(4-methoxyphenyl)-N-(2-methyl-4-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-(4-methoxyphenyl)-N-(4-morpholin-4-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-(4-methoxyphenyl)-N-(6-piperidin-1-yl-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-N-[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-N,2-N-dimethylpyridine-2,5-diamine.

Molecular Properties

Compound Nametert-butyl N-[2-[[4-[[5-(3-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoyl]amino]ethyl]carbamate;5-(4-methoxyphenyl)-N-(2-methyl-4-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-(4-methoxyphenyl)-N-(4-morpholin-4-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-(4-methoxyphenyl)-N-(6-piperidin-1-yl-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-N-[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-N,2-N-dimethylpyridine-2,5-diamine
PubChem CID161043490
Molecular FormulaC111H111ClN28O8
Molecular Weight2000.75 g/mol
Exact Mass1998.88
IUPAC Nametert-butyl N-[2-[[4-[[5-(3-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoyl]amino]ethyl]carbamate;5-(4-methoxyphenyl)-N-(2-methyl-4-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-(4-methoxyphenyl)-N-(4-morpholin-4-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-(4-methoxyphenyl)-N-(6-piperidin-1-yl-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-N-[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-N,2-N-dimethylpyridine-2,5-diamine
SMILESCC(C)(C)OC(=O)NCCNC(=O)c1ccc(Nc2nc3cccc(-c4cccc(Cl)c4)n3n2)cc1.COc1ccc(-c2cccc3nc(Nc4ccc(N(C)C)nc4)nn23)cc1.COc1ccc(-c2cccc3nc(Nc4ccc(N5CCCCC5)nc4)nn23)cc1.COc1ccc(-c2cccc3nc(Nc4ccc(N5CCOCC5)cc4)nn23)cc1.COc1ccc(-c2cccc3nc(Nc4ccnc(C)c4)nn23)cc1
InChIInChI=1S/C26H27ClN6O3.C23H24N6O.C23H23N5O2.C20H20N6O.C19H17N5O/c1-26(2,3)36-25(35)29-15-14-28-23(34)17-10-12-20(13-11-17)30-24-31-22-9-5-8-21(33(22)32-24)18-6-4-7-19(27)16-18;1-30-19-11-8-17(9-12-19)20-6-5-7-22-26-23(27-29(20)22)25-18-10-13-21(24-16-18)28-14-3-2-4-15-28;1-29-20-11-5-17(6-12-20)21-3-2-4-22-25-23(26-28(21)22)24-18-7-9-19(10-8-18)27-13-15-30-16-14-27;1-25(2)18-12-9-15(13-21-18)22-20-23-19-6-4-5-17(26(19)24-20)14-7-10-16(27-3)11-8-14;1-13-12-15(10-11-20-13)21-19-22-18-5-3-4-17(24(18)23-19)14-6-8-16(25-2)9-7-14/h4-13,16H,14-15H2,1-3H3,(H,28,34)(H,29,35)(H,30,32);5-13,16H,2-4,14-15H2,1H3,(H,25,27);2-12H,13-16H2,1H3,(H,24,26);4-13H,1-3H3,(H,22,24);3-12H,1-2H3,(H,20,21,23)
InChIKeyUBENQMOGGYTQCM-UHFFFAOYSA-N
XLogP21.03
TPSA373.07 Ų
H-Bond Donors7
H-Bond Acceptors34
Rotatable Bonds26
Heavy Atoms148
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002000.75
LogP ≤ 521.03
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1034

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze tert-butyl N-[2-[[4-[[5-(3-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoyl]amino]ethyl]carbamate;5-(4-methoxyphenyl)-N-(2-methyl-4-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-(4-methoxyphenyl)-N-(4-morpholin-4-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-(4-methoxyphenyl)-N-(6-piperidin-1-yl-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-N-[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-N,2-N-dimethylpyridine-2,5-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[[4-[[5-(3-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoyl]amino]ethyl]carbamate;5-(4-methoxyphenyl)-N-(2-methyl-4-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-(4-methoxyphenyl)-N-(4-morpholin-4-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-(4-methoxyphenyl)-N-(6-piperidin-1-yl-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-N-[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-N,2-N-dimethylpyridine-2,5-diamine?
The IUPAC name of tert-butyl N-[2-[[4-[[5-(3-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoyl]amino]ethyl]carbamate;5-(4-methoxyphenyl)-N-(2-methyl-4-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-(4-methoxyphenyl)-N-(4-morpholin-4-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-(4-methoxyphenyl)-N-(6-piperidin-1-yl-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-N-[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-N,2-N-dimethylpyridine-2,5-diamine (CID 161043490) is tert-butyl N-[2-[[4-[[5-(3-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoyl]amino]ethyl]carbamate;5-(4-methoxyphenyl)-N-(2-methyl-4-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-(4-methoxyphenyl)-N-(4-morpholin-4-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-(4-methoxyphenyl)-N-(6-piperidin-1-yl-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-N-[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-N,2-N-dimethylpyridine-2,5-diamine.
What is the SMILES notation for tert-butyl N-[2-[[4-[[5-(3-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoyl]amino]ethyl]carbamate;5-(4-methoxyphenyl)-N-(2-methyl-4-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-(4-methoxyphenyl)-N-(4-morpholin-4-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-(4-methoxyphenyl)-N-(6-piperidin-1-yl-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-N-[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-N,2-N-dimethylpyridine-2,5-diamine?
The canonical SMILES for tert-butyl N-[2-[[4-[[5-(3-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoyl]amino]ethyl]carbamate;5-(4-methoxyphenyl)-N-(2-methyl-4-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-(4-methoxyphenyl)-N-(4-morpholin-4-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-(4-methoxyphenyl)-N-(6-piperidin-1-yl-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-N-[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-N,2-N-dimethylpyridine-2,5-diamine is CC(C)(C)OC(=O)NCCNC(=O)c1ccc(Nc2nc3cccc(-c4cccc(Cl)c4)n3n2)cc1.COc1ccc(-c2cccc3nc(Nc4ccc(N(C)C)nc4)nn23)cc1.COc1ccc(-c2cccc3nc(Nc4ccc(N5CCCCC5)nc4)nn23)cc1.COc1ccc(-c2cccc3nc(Nc4ccc(N5CCOCC5)cc4)nn23)cc1.COc1ccc(-c2cccc3nc(Nc4ccnc(C)c4)nn23)cc1.
What is the InChIKey of tert-butyl N-[2-[[4-[[5-(3-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoyl]amino]ethyl]carbamate;5-(4-methoxyphenyl)-N-(2-methyl-4-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-(4-methoxyphenyl)-N-(4-morpholin-4-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-(4-methoxyphenyl)-N-(6-piperidin-1-yl-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-N-[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-N,2-N-dimethylpyridine-2,5-diamine?
The InChIKey is UBENQMOGGYTQCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27ClN6O3.C23H24N6O.C23H23N5O2.C20H20N6O.C19H17N5O/c1-26(2,3)36-25(35)29-15-14-28-23(34)17-10-12-20(13-11-17)30-24-31-22-9-5-8-21(33(22)32-24)18-6-4-7-19(27)16-18;1-30-19-11-8-17(9-12-19)20-6-5-7-22-26-23(27-29(20)22)25-18-10-13-21(24-16-18)28-14-3-2-4-15-28;1-29-20-11-5-17(6-12-20)21-3-2-4-22-25-23(26-28(21)22)24-18-7-9-19(10-8-18)27-13-15-30-16-14-27;1-25(2)18-12-9-15(13-21-18)22-20-23-19-6-4-5-17(26(19)24-20)14-7-10-16(27-3)11-8-14;1-13-12-15(10-11-20-13)21-19-22-18-5-3-4-17(24(18)23-19)14-6-8-16(25-2)9-7-14/h4-13,16H,14-15H2,1-3H3,(H,28,34)(H,29,35)(H,30,32);5-13,16H,2-4,14-15H2,1H3,(H,25,27);2-12H,13-16H2,1H3,(H,24,26);4-13H,1-3H3,(H,22,24);3-12H,1-2H3,(H,20,21,23).
What are the key properties of tert-butyl N-[2-[[4-[[5-(3-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoyl]amino]ethyl]carbamate;5-(4-methoxyphenyl)-N-(2-methyl-4-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-(4-methoxyphenyl)-N-(4-morpholin-4-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-(4-methoxyphenyl)-N-(6-piperidin-1-yl-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-N-[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-N,2-N-dimethylpyridine-2,5-diamine?
tert-butyl N-[2-[[4-[[5-(3-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoyl]amino]ethyl]carbamate;5-(4-methoxyphenyl)-N-(2-methyl-4-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-(4-methoxyphenyl)-N-(4-morpholin-4-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-(4-methoxyphenyl)-N-(6-piperidin-1-yl-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-N-[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-N,2-N-dimethylpyridine-2,5-diamine has a molecular weight of 2000.75 g/mol, XLogP of 21.03, 26 rotatable bonds, 7 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[[4-[[5-(3-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoyl]amino]ethyl]carbamate;5-(4-methoxyphenyl)-N-(2-methyl-4-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-(4-methoxyphenyl)-N-(4-morpholin-4-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-(4-methoxyphenyl)-N-(6-piperidin-1-yl-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-N-[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-N,2-N-dimethylpyridine-2,5-diamine is sourced from PubChem (CID 161043490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).