4-[[5-(3-acetamidophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoic acid;4-[[5-(4-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;4-[[5-(4-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-[2-(1-methylpyrrolidin-2-yl)ethyl]benzamide;4-[[5-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-[(1-methylpiperidin-4-yl)methyl]benzamide;4-[[5-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(2-piperazin-1-ylethyl)benzamide;4-[[5-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide

C137H128Cl2F2N34O9 — CID 158195853

About 4-[[5-(3-acetamidophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoic acid;4-[[5-(4-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;4-[[5-(4-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-[2-(1-methylpyrrolidin-2-yl)ethyl]benzamide;4-[[5-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-[(1-methylpiperidin-4-yl)methyl]benzamide;4-[[5-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(2-piperazin-1-ylethyl)benzamide;4-[[5-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide

4-[[5-(3-acetamidophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoic acid;4-[[5-(4-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;4-[[5-(4-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-[2-(1-methylpyrrolidin-2-yl)ethyl]benzamide;4-[[5-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-[(1-methylpiperidin-4-yl)methyl]benzamide;4-[[5-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(2-piperazin-1-ylethyl)benzamide;4-[[5-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide (PubChem CID 158195853) has the molecular formula C137H128Cl2F2N34O9 and a molecular weight of 2503.66 g/mol. Its IUPAC name is 4-[[5-(3-acetamidophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoic acid;4-[[5-(4-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;4-[[5-(4-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-[2-(1-methylpyrrolidin-2-yl)ethyl]benzamide;4-[[5-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-[(1-methylpiperidin-4-yl)methyl]benzamide;4-[[5-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(2-piperazin-1-ylethyl)benzamide;4-[[5-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide.

Molecular Properties

• Compound Name: 4-[[5-(3-acetamidophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoic acid;4-[[5-(4-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;4-[[5-(4-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-[2-(1-methylpyrrolidin-2-yl)ethyl]benzamide;4-[[5-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-[(1-methylpiperidin-4-yl)methyl]benzamide;4-[[5-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(2-piperazin-1-ylethyl)benzamide;4-[[5-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
• PubChem CID: 158195853
• Molecular Formula: C137H128Cl2F2N34O9
• Molecular Weight: 2503.66 g/mol
• Exact Mass: 2500.99
• IUPAC Name: 4-[[5-(3-acetamidophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoic acid;4-[[5-(4-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;4-[[5-(4-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-[2-(1-methylpyrrolidin-2-yl)ethyl]benzamide;4-[[5-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-[(1-methylpiperidin-4-yl)methyl]benzamide;4-[[5-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(2-piperazin-1-ylethyl)benzamide;4-[[5-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
• SMILES: CC(=O)Nc1cccc(-c2cccc3nc(Nc4ccc(C(=O)O)cc4)nn23)c1.CN1CCC(CNC(=O)c2ccc(Nc3nc4cccc(-c5cccc(F)c5)n4n3)cc2)CC1.CN1CCCC1CCNC(=O)c1ccc(Nc2nc3cccc(-c4ccc(Cl)cc4)n3n2)cc1.COc1cccc(-c2cccc3nc(Nc4ccc(C(N)=O)cc4)nn23)c1.NC(=O)c1ccc(Nc2nc3cccc(-c4ccc(Cl)cc4)n3n2)cc1.O=C(NCCN1CCNCC1)c1ccc(Nc2nc3cccc(-c4cccc(F)c4)n3n2)cc1
• InChI: InChI=1S/C26H27ClN6O.C26H27FN6O.C25H26FN7O.C21H17N5O3.C20H17N5O2.C19H14ClN5O/c1-32-17-3-4-22(32)15-16-28-25(34)19-9-13-21(14-10-19)29-26-30-24-6-2-5-23(33(24)31-26)18-7-11-20(27)12-8-18;1-32-14-12-18(13-15-32)17-28-25(34)19-8-10-22(11-9-19)29-26-30-24-7-3-6-23(33(24)31-26)20-4-2-5-21(27)16-20;26-20-4-1-3-19(17-20)22-5-2-6-23-30-25(31-33(22)23)29-21-9-7-18(8-10-21)24(34)28-13-16-32-14-11-27-12-15-32;1-13(27)22-17-5-2-4-15(12-17)18-6-3-7-19-24-21(25-26(18)19)23-16-10-8-14(9-11-16)20(28)29;1-27-16-5-2-4-14(12-16)17-6-3-7-18-23-20(24-25(17)18)22-15-10-8-13(9-11-15)19(21)26;20-14-8-4-12(5-9-14)16-2-1-3-17-23-19(24-25(16)17)22-15-10-6-13(7-11-15)18(21)26/h2,5-14,22H,3-4,15-17H2,1H3,(H,28,34)(H,29,31);2-11,16,18H,12-15,17H2,1H3,(H,28,34)(H,29,31);1-10,17,27H,11-16H2,(H,28,34)(H,29,31);2-12H,1H3,(H,22,27)(H,23,25)(H,28,29);2-12H,1H3,(H2,21,26)(H,22,24);1-11H,(H2,21,26)(H,22,24)
• InChIKey: GAIFZNOEHALERO-UHFFFAOYSA-N
• XLogP: 23.21
• TPSA: 524.18 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 36
• Rotatable Bonds: 34
• Heavy Atoms: 184
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2503.66
LogP ≤ 5	23.21
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	36

Frequently Asked Questions

What is the IUPAC name of 4-[[5-(3-acetamidophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoic acid;4-[[5-(4-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;4-[[5-(4-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-[2-(1-methylpyrrolidin-2-yl)ethyl]benzamide;4-[[5-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-[(1-methylpiperidin-4-yl)methyl]benzamide;4-[[5-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(2-piperazin-1-ylethyl)benzamide;4-[[5-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide?

The IUPAC name of 4-[[5-(3-acetamidophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoic acid;4-[[5-(4-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;4-[[5-(4-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-[2-(1-methylpyrrolidin-2-yl)ethyl]benzamide;4-[[5-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-[(1-methylpiperidin-4-yl)methyl]benzamide;4-[[5-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(2-piperazin-1-ylethyl)benzamide;4-[[5-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide (CID 158195853) is 4-[[5-(3-acetamidophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoic acid;4-[[5-(4-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;4-[[5-(4-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-[2-(1-methylpyrrolidin-2-yl)ethyl]benzamide;4-[[5-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-[(1-methylpiperidin-4-yl)methyl]benzamide;4-[[5-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(2-piperazin-1-ylethyl)benzamide;4-[[5-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide.

What is the SMILES notation for 4-[[5-(3-acetamidophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoic acid;4-[[5-(4-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;4-[[5-(4-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-[2-(1-methylpyrrolidin-2-yl)ethyl]benzamide;4-[[5-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-[(1-methylpiperidin-4-yl)methyl]benzamide;4-[[5-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(2-piperazin-1-ylethyl)benzamide;4-[[5-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide?

The canonical SMILES for 4-[[5-(3-acetamidophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoic acid;4-[[5-(4-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;4-[[5-(4-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-[2-(1-methylpyrrolidin-2-yl)ethyl]benzamide;4-[[5-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-[(1-methylpiperidin-4-yl)methyl]benzamide;4-[[5-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(2-piperazin-1-ylethyl)benzamide;4-[[5-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide is CC(=O)Nc1cccc(-c2cccc3nc(Nc4ccc(C(=O)O)cc4)nn23)c1.CN1CCC(CNC(=O)c2ccc(Nc3nc4cccc(-c5cccc(F)c5)n4n3)cc2)CC1.CN1CCCC1CCNC(=O)c1ccc(Nc2nc3cccc(-c4ccc(Cl)cc4)n3n2)cc1.COc1cccc(-c2cccc3nc(Nc4ccc(C(N)=O)cc4)nn23)c1.NC(=O)c1ccc(Nc2nc3cccc(-c4ccc(Cl)cc4)n3n2)cc1.O=C(NCCN1CCNCC1)c1ccc(Nc2nc3cccc(-c4cccc(F)c4)n3n2)cc1.

What is the InChIKey of 4-[[5-(3-acetamidophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoic acid;4-[[5-(4-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;4-[[5-(4-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-[2-(1-methylpyrrolidin-2-yl)ethyl]benzamide;4-[[5-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-[(1-methylpiperidin-4-yl)methyl]benzamide;4-[[5-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(2-piperazin-1-ylethyl)benzamide;4-[[5-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide?

The InChIKey is GAIFZNOEHALERO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27ClN6O.C26H27FN6O.C25H26FN7O.C21H17N5O3.C20H17N5O2.C19H14ClN5O/c1-32-17-3-4-22(32)15-16-28-25(34)19-9-13-21(14-10-19)29-26-30-24-6-2-5-23(33(24)31-26)18-7-11-20(27)12-8-18;1-32-14-12-18(13-15-32)17-28-25(34)19-8-10-22(11-9-19)29-26-30-24-7-3-6-23(33(24)31-26)20-4-2-5-21(27)16-20;26-20-4-1-3-19(17-20)22-5-2-6-23-30-25(31-33(22)23)29-21-9-7-18(8-10-21)24(34)28-13-16-32-14-11-27-12-15-32;1-13(27)22-17-5-2-4-15(12-17)18-6-3-7-19-24-21(25-26(18)19)23-16-10-8-14(9-11-16)20(28)29;1-27-16-5-2-4-14(12-16)17-6-3-7-18-23-20(24-25(17)18)22-15-10-8-13(9-11-15)19(21)26;20-14-8-4-12(5-9-14)16-2-1-3-17-23-19(24-25(16)17)22-15-10-6-13(7-11-15)18(21)26/h2,5-14,22H,3-4,15-17H2,1H3,(H,28,34)(H,29,31);2-11,16,18H,12-15,17H2,1H3,(H,28,34)(H,29,31);1-10,17,27H,11-16H2,(H,28,34)(H,29,31);2-12H,1H3,(H,22,27)(H,23,25)(H,28,29);2-12H,1H3,(H2,21,26)(H,22,24);1-11H,(H2,21,26)(H,22,24).

What are the key properties of 4-[[5-(3-acetamidophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoic acid;4-[[5-(4-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;4-[[5-(4-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-[2-(1-methylpyrrolidin-2-yl)ethyl]benzamide;4-[[5-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-[(1-methylpiperidin-4-yl)methyl]benzamide;4-[[5-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(2-piperazin-1-ylethyl)benzamide;4-[[5-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide?

4-[[5-(3-acetamidophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoic acid;4-[[5-(4-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;4-[[5-(4-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-[2-(1-methylpyrrolidin-2-yl)ethyl]benzamide;4-[[5-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-[(1-methylpiperidin-4-yl)methyl]benzamide;4-[[5-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(2-piperazin-1-ylethyl)benzamide;4-[[5-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide has a molecular weight of 2503.66 g/mol, XLogP of 23.21, 34 rotatable bonds, 14 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[5-(3-acetamidophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoic acid;4-[[5-(4-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;4-[[5-(4-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-[2-(1-methylpyrrolidin-2-yl)ethyl]benzamide;4-[[5-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-[(1-methylpiperidin-4-yl)methyl]benzamide;4-[[5-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(2-piperazin-1-ylethyl)benzamide;4-[[5-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide is sourced from PubChem (CID 158195853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).