tert-butyl N-[2-[[4-[[8-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoyl]amino]ethyl]carbamate;N-cyclohexyl-4-[[8-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-cyclohexyl-4-[[8-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;4-[[8-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(1-methylpiperidin-4-yl)benzamide;4-[[8-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(piperidin-4-ylmethyl)benzamide

C131H140N28O10 — CID 160552054

About tert-butyl N-[2-[[4-[[8-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoyl]amino]ethyl]carbamate;N-cyclohexyl-4-[[8-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-cyclohexyl-4-[[8-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;4-[[8-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(1-methylpiperidin-4-yl)benzamide;4-[[8-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(piperidin-4-ylmethyl)benzamide

tert-butyl N-[2-[[4-[[8-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoyl]amino]ethyl]carbamate;N-cyclohexyl-4-[[8-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-cyclohexyl-4-[[8-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;4-[[8-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(1-methylpiperidin-4-yl)benzamide;4-[[8-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(piperidin-4-ylmethyl)benzamide (PubChem CID 160552054) has the molecular formula C131H140N28O10 and a molecular weight of 2266.75 g/mol. Its IUPAC name is tert-butyl N-[2-[[4-[[8-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoyl]amino]ethyl]carbamate;N-cyclohexyl-4-[[8-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-cyclohexyl-4-[[8-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;4-[[8-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(1-methylpiperidin-4-yl)benzamide;4-[[8-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(piperidin-4-ylmethyl)benzamide.

Molecular Properties

• Compound Name: tert-butyl N-[2-[[4-[[8-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoyl]amino]ethyl]carbamate;N-cyclohexyl-4-[[8-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-cyclohexyl-4-[[8-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;4-[[8-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(1-methylpiperidin-4-yl)benzamide;4-[[8-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(piperidin-4-ylmethyl)benzamide
• PubChem CID: 160552054
• Molecular Formula: C131H140N28O10
• Molecular Weight: 2266.75 g/mol
• Exact Mass: 2265.13
• IUPAC Name: tert-butyl N-[2-[[4-[[8-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoyl]amino]ethyl]carbamate;N-cyclohexyl-4-[[8-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-cyclohexyl-4-[[8-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;4-[[8-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(1-methylpiperidin-4-yl)benzamide;4-[[8-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(piperidin-4-ylmethyl)benzamide
• SMILES: COc1cccc(-c2cccn3nc(Nc4ccc(C(=O)NC5CCCCC5)cc4)nc23)c1.COc1cccc(-c2cccn3nc(Nc4ccc(C(=O)NC5CCN(C)CC5)cc4)nc23)c1.COc1cccc(-c2cccn3nc(Nc4ccc(C(=O)NCC5CCNCC5)cc4)nc23)c1.Cc1ccc(-c2cccn3nc(Nc4ccc(C(=O)NC5CCCCC5)cc4)nc23)cc1.Cc1ccc(-c2cccn3nc(Nc4ccc(C(=O)NCCNC(=O)OC(C)(C)C)cc4)nc23)cc1
• InChI: InChI=1S/C27H30N6O3.2C26H28N6O2.C26H27N5O2.C26H27N5O/c1-18-7-9-19(10-8-18)22-6-5-17-33-23(22)31-25(32-33)30-21-13-11-20(12-14-21)24(34)28-15-16-29-26(35)36-27(2,3)4;1-31-15-12-21(13-16-31)27-25(33)18-8-10-20(11-9-18)28-26-29-24-23(7-4-14-32(24)30-26)19-5-3-6-22(17-19)34-2;1-34-22-5-2-4-20(16-22)23-6-3-15-32-24(23)30-26(31-32)29-21-9-7-19(8-10-21)25(33)28-17-18-11-13-27-14-12-18;1-33-22-10-5-7-19(17-22)23-11-6-16-31-24(23)29-26(30-31)28-21-14-12-18(13-15-21)25(32)27-20-8-3-2-4-9-20;1-18-9-11-19(12-10-18)23-8-5-17-31-24(23)29-26(30-31)28-22-15-13-20(14-16-22)25(32)27-21-6-3-2-4-7-21/h5-14,17H,15-16H2,1-4H3,(H,28,34)(H,29,35)(H,30,32);3-11,14,17,21H,12-13,15-16H2,1-2H3,(H,27,33)(H,28,30);2-10,15-16,18,27H,11-14,17H2,1H3,(H,28,33)(H,29,31);5-7,10-17,20H,2-4,8-9H2,1H3,(H,27,32)(H,28,30);5,8-17,21H,2-4,6-7H2,1H3,(H,27,32)(H,28,30)
• InChIKey: QYEYYOTWMPMQRJ-UHFFFAOYSA-N
• XLogP: 23.28
• TPSA: 437.89 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 32
• Rotatable Bonds: 31
• Heavy Atoms: 169
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2266.75
LogP ≤ 5	23.28
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[[4-[[8-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoyl]amino]ethyl]carbamate;N-cyclohexyl-4-[[8-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-cyclohexyl-4-[[8-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;4-[[8-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(1-methylpiperidin-4-yl)benzamide;4-[[8-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(piperidin-4-ylmethyl)benzamide?

The IUPAC name of tert-butyl N-[2-[[4-[[8-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoyl]amino]ethyl]carbamate;N-cyclohexyl-4-[[8-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-cyclohexyl-4-[[8-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;4-[[8-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(1-methylpiperidin-4-yl)benzamide;4-[[8-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(piperidin-4-ylmethyl)benzamide (CID 160552054) is tert-butyl N-[2-[[4-[[8-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoyl]amino]ethyl]carbamate;N-cyclohexyl-4-[[8-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-cyclohexyl-4-[[8-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;4-[[8-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(1-methylpiperidin-4-yl)benzamide;4-[[8-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(piperidin-4-ylmethyl)benzamide.

What is the SMILES notation for tert-butyl N-[2-[[4-[[8-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoyl]amino]ethyl]carbamate;N-cyclohexyl-4-[[8-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-cyclohexyl-4-[[8-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;4-[[8-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(1-methylpiperidin-4-yl)benzamide;4-[[8-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(piperidin-4-ylmethyl)benzamide?

The canonical SMILES for tert-butyl N-[2-[[4-[[8-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoyl]amino]ethyl]carbamate;N-cyclohexyl-4-[[8-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-cyclohexyl-4-[[8-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;4-[[8-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(1-methylpiperidin-4-yl)benzamide;4-[[8-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(piperidin-4-ylmethyl)benzamide is COc1cccc(-c2cccn3nc(Nc4ccc(C(=O)NC5CCCCC5)cc4)nc23)c1.COc1cccc(-c2cccn3nc(Nc4ccc(C(=O)NC5CCN(C)CC5)cc4)nc23)c1.COc1cccc(-c2cccn3nc(Nc4ccc(C(=O)NCC5CCNCC5)cc4)nc23)c1.Cc1ccc(-c2cccn3nc(Nc4ccc(C(=O)NC5CCCCC5)cc4)nc23)cc1.Cc1ccc(-c2cccn3nc(Nc4ccc(C(=O)NCCNC(=O)OC(C)(C)C)cc4)nc23)cc1.

What is the InChIKey of tert-butyl N-[2-[[4-[[8-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoyl]amino]ethyl]carbamate;N-cyclohexyl-4-[[8-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-cyclohexyl-4-[[8-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;4-[[8-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(1-methylpiperidin-4-yl)benzamide;4-[[8-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(piperidin-4-ylmethyl)benzamide?

The InChIKey is QYEYYOTWMPMQRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N6O3.2C26H28N6O2.C26H27N5O2.C26H27N5O/c1-18-7-9-19(10-8-18)22-6-5-17-33-23(22)31-25(32-33)30-21-13-11-20(12-14-21)24(34)28-15-16-29-26(35)36-27(2,3)4;1-31-15-12-21(13-16-31)27-25(33)18-8-10-20(11-9-18)28-26-29-24-23(7-4-14-32(24)30-26)19-5-3-6-22(17-19)34-2;1-34-22-5-2-4-20(16-22)23-6-3-15-32-24(23)30-26(31-32)29-21-9-7-19(8-10-21)25(33)28-17-18-11-13-27-14-12-18;1-33-22-10-5-7-19(17-22)23-11-6-16-31-24(23)29-26(30-31)28-21-14-12-18(13-15-21)25(32)27-20-8-3-2-4-9-20;1-18-9-11-19(12-10-18)23-8-5-17-31-24(23)29-26(30-31)28-22-15-13-20(14-16-22)25(32)27-21-6-3-2-4-7-21/h5-14,17H,15-16H2,1-4H3,(H,28,34)(H,29,35)(H,30,32);3-11,14,17,21H,12-13,15-16H2,1-2H3,(H,27,33)(H,28,30);2-10,15-16,18,27H,11-14,17H2,1H3,(H,28,33)(H,29,31);5-7,10-17,20H,2-4,8-9H2,1H3,(H,27,32)(H,28,30);5,8-17,21H,2-4,6-7H2,1H3,(H,27,32)(H,28,30).

What are the key properties of tert-butyl N-[2-[[4-[[8-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoyl]amino]ethyl]carbamate;N-cyclohexyl-4-[[8-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-cyclohexyl-4-[[8-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;4-[[8-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(1-methylpiperidin-4-yl)benzamide;4-[[8-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(piperidin-4-ylmethyl)benzamide?

tert-butyl N-[2-[[4-[[8-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoyl]amino]ethyl]carbamate;N-cyclohexyl-4-[[8-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-cyclohexyl-4-[[8-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;4-[[8-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(1-methylpiperidin-4-yl)benzamide;4-[[8-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(piperidin-4-ylmethyl)benzamide has a molecular weight of 2266.75 g/mol, XLogP of 23.28, 31 rotatable bonds, 12 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[2-[[4-[[8-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoyl]amino]ethyl]carbamate;N-cyclohexyl-4-[[8-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-cyclohexyl-4-[[8-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;4-[[8-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(1-methylpiperidin-4-yl)benzamide;4-[[8-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(piperidin-4-ylmethyl)benzamide is sourced from PubChem (CID 160552054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).