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

C102H107F3N24O6 — CID 159454342

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

tert-butyl N-[2-[[4-[[8-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoyl]amino]ethyl]carbamate;N-[2-(dimethylamino)ethyl]-4-[[8-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;4-[[8-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(1-methylpiperidin-4-yl)benzamide;4-[[8-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-piperidin-4-ylbenzamide (PubChem CID 159454342) has the molecular formula C102H107F3N24O6 and a molecular weight of 1822.13 g/mol. Its IUPAC name is tert-butyl N-[2-[[4-[[8-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoyl]amino]ethyl]carbamate;N-[2-(dimethylamino)ethyl]-4-[[8-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;4-[[8-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(1-methylpiperidin-4-yl)benzamide;4-[[8-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-piperidin-4-ylbenzamide.

Molecular Properties

• Compound Name: tert-butyl N-[2-[[4-[[8-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoyl]amino]ethyl]carbamate;N-[2-(dimethylamino)ethyl]-4-[[8-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;4-[[8-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(1-methylpiperidin-4-yl)benzamide;4-[[8-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-piperidin-4-ylbenzamide
• PubChem CID: 159454342
• Molecular Formula: C102H107F3N24O6
• Molecular Weight: 1822.13 g/mol
• Exact Mass: 1820.88
• IUPAC Name: tert-butyl N-[2-[[4-[[8-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoyl]amino]ethyl]carbamate;N-[2-(dimethylamino)ethyl]-4-[[8-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;4-[[8-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(1-methylpiperidin-4-yl)benzamide;4-[[8-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-piperidin-4-ylbenzamide
• SMILES: CC(C)(C)OC(=O)NCCNC(=O)c1ccc(Nc2nc3c(-c4cccc(C(F)(F)F)c4)cccn3n2)cc1.Cc1ccc(-c2cccn3nc(Nc4ccc(C(=O)NC5CCN(C)CC5)cc4)nc23)cc1.Cc1ccc(-c2cccn3nc(Nc4ccc(C(=O)NC5CCNCC5)cc4)nc23)cc1.Cc1ccc(-c2cccn3nc(Nc4ccc(C(=O)NCCN(C)C)cc4)nc23)cc1
• InChI: InChI=1S/C27H27F3N6O3.C26H28N6O.C25H26N6O.C24H26N6O/c1-26(2,3)39-25(38)32-14-13-31-23(37)17-9-11-20(12-10-17)33-24-34-22-21(8-5-15-36(22)35-24)18-6-4-7-19(16-18)27(28,29)30;1-18-5-7-19(8-6-18)23-4-3-15-32-24(23)29-26(30-32)28-21-11-9-20(10-12-21)25(33)27-22-13-16-31(2)17-14-22;1-17-4-6-18(7-5-17)22-3-2-16-31-23(22)29-25(30-31)28-20-10-8-19(9-11-20)24(32)27-21-12-14-26-15-13-21;1-17-6-8-18(9-7-17)21-5-4-15-30-22(21)27-24(28-30)26-20-12-10-19(11-13-20)23(31)25-14-16-29(2)3/h4-12,15-16H,13-14H2,1-3H3,(H,31,37)(H,32,38)(H,33,35);3-12,15,22H,13-14,16-17H2,1-2H3,(H,27,33)(H,28,30);2-11,16,21,26H,12-15H2,1H3,(H,27,32)(H,28,30);4-13,15H,14,16H2,1-3H3,(H,25,31)(H,26,28)
• InChIKey: LTTUYSQTUCBZBG-UHFFFAOYSA-N
• XLogP: 17.36
• TPSA: 342.12 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 25
• Rotatable Bonds: 24
• Heavy Atoms: 135
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1822.13
LogP ≤ 5	17.36
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	25

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-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoyl]amino]ethyl]carbamate;N-[2-(dimethylamino)ethyl]-4-[[8-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;4-[[8-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(1-methylpiperidin-4-yl)benzamide;4-[[8-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-piperidin-4-ylbenzamide?

The IUPAC name of tert-butyl N-[2-[[4-[[8-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoyl]amino]ethyl]carbamate;N-[2-(dimethylamino)ethyl]-4-[[8-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;4-[[8-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(1-methylpiperidin-4-yl)benzamide;4-[[8-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-piperidin-4-ylbenzamide (CID 159454342) is tert-butyl N-[2-[[4-[[8-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoyl]amino]ethyl]carbamate;N-[2-(dimethylamino)ethyl]-4-[[8-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;4-[[8-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(1-methylpiperidin-4-yl)benzamide;4-[[8-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-piperidin-4-ylbenzamide.

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

The canonical SMILES for tert-butyl N-[2-[[4-[[8-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoyl]amino]ethyl]carbamate;N-[2-(dimethylamino)ethyl]-4-[[8-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;4-[[8-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(1-methylpiperidin-4-yl)benzamide;4-[[8-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-piperidin-4-ylbenzamide is CC(C)(C)OC(=O)NCCNC(=O)c1ccc(Nc2nc3c(-c4cccc(C(F)(F)F)c4)cccn3n2)cc1.Cc1ccc(-c2cccn3nc(Nc4ccc(C(=O)NC5CCN(C)CC5)cc4)nc23)cc1.Cc1ccc(-c2cccn3nc(Nc4ccc(C(=O)NC5CCNCC5)cc4)nc23)cc1.Cc1ccc(-c2cccn3nc(Nc4ccc(C(=O)NCCN(C)C)cc4)nc23)cc1.

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

The InChIKey is LTTUYSQTUCBZBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27F3N6O3.C26H28N6O.C25H26N6O.C24H26N6O/c1-26(2,3)39-25(38)32-14-13-31-23(37)17-9-11-20(12-10-17)33-24-34-22-21(8-5-15-36(22)35-24)18-6-4-7-19(16-18)27(28,29)30;1-18-5-7-19(8-6-18)23-4-3-15-32-24(23)29-26(30-32)28-21-11-9-20(10-12-21)25(33)27-22-13-16-31(2)17-14-22;1-17-4-6-18(7-5-17)22-3-2-16-31-23(22)29-25(30-31)28-20-10-8-19(9-11-20)24(32)27-21-12-14-26-15-13-21;1-17-6-8-18(9-7-17)21-5-4-15-30-22(21)27-24(28-30)26-20-12-10-19(11-13-20)23(31)25-14-16-29(2)3/h4-12,15-16H,13-14H2,1-3H3,(H,31,37)(H,32,38)(H,33,35);3-12,15,22H,13-14,16-17H2,1-2H3,(H,27,33)(H,28,30);2-11,16,21,26H,12-15H2,1H3,(H,27,32)(H,28,30);4-13,15H,14,16H2,1-3H3,(H,25,31)(H,26,28).

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

tert-butyl N-[2-[[4-[[8-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoyl]amino]ethyl]carbamate;N-[2-(dimethylamino)ethyl]-4-[[8-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;4-[[8-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(1-methylpiperidin-4-yl)benzamide;4-[[8-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-piperidin-4-ylbenzamide has a molecular weight of 1822.13 g/mol, XLogP of 17.36, 24 rotatable bonds, 10 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[2-[[4-[[8-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoyl]amino]ethyl]carbamate;N-[2-(dimethylamino)ethyl]-4-[[8-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;4-[[8-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(1-methylpiperidin-4-yl)benzamide;4-[[8-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-piperidin-4-ylbenzamide is sourced from PubChem (CID 159454342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).