4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-cyano-N-ethylbenzamide;4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-ethyl-3,5-difluorobenzamide;4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-ethyl-3-fluorobenzamide;4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-ethyl-3-(trifluoromethyl)benzamide

C78H67Cl4F6N29O4 — CID 167579526

About 4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-cyano-N-ethylbenzamide;4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-ethyl-3,5-difluorobenzamide;4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-ethyl-3-fluorobenzamide;4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-ethyl-3-(trifluoromethyl)benzamide

4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-cyano-N-ethylbenzamide;4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-ethyl-3,5-difluorobenzamide;4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-ethyl-3-fluorobenzamide;4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-ethyl-3-(trifluoromethyl)benzamide (PubChem CID 167579526) has the molecular formula C78H67Cl4F6N29O4 and a molecular weight of 1730.39 g/mol. Its IUPAC name is 4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-cyano-N-ethylbenzamide;4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-ethyl-3,5-difluorobenzamide;4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-ethyl-3-fluorobenzamide;4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-ethyl-3-(trifluoromethyl)benzamide.

Molecular Properties

• Compound Name: 4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-cyano-N-ethylbenzamide;4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-ethyl-3,5-difluorobenzamide;4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-ethyl-3-fluorobenzamide;4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-ethyl-3-(trifluoromethyl)benzamide
• PubChem CID: 167579526
• Molecular Formula: C78H67Cl4F6N29O4
• Molecular Weight: 1730.39 g/mol
• Exact Mass: 1727.46
• IUPAC Name: 4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-cyano-N-ethylbenzamide;4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-ethyl-3,5-difluorobenzamide;4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-ethyl-3-fluorobenzamide;4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-ethyl-3-(trifluoromethyl)benzamide
• SMILES: CCNC(=O)c1cc(F)c(-c2nc(Nc3ccc4[nH]ncc4c3Cl)n(C)n2)c(F)c1.CCNC(=O)c1ccc(-c2nc(Nc3ccc4[nH]ncc4c3Cl)n(C)n2)c(C(F)(F)F)c1.CCNC(=O)c1ccc(-c2nc(Nc3ccc4[nH]ncc4c3Cl)n(C)n2)c(F)c1.CCNC(=O)c1ccc(-c2nc(Nc3ccc4[nH]ncc4c3Cl)n(C)n2)cc1C#N
• InChI: InChI=1S/C20H17ClF3N7O.C20H17ClN8O.C19H16ClF2N7O.C19H17ClFN7O/c1-3-25-18(32)10-4-5-11(13(8-10)20(22,23)24)17-28-19(31(2)30-17)27-15-7-6-14-12(16(15)21)9-26-29-14;1-3-23-19(30)13-5-4-11(8-12(13)9-22)18-26-20(29(2)28-18)25-16-7-6-15-14(17(16)21)10-24-27-15;1-3-23-18(30)9-6-11(21)15(12(22)7-9)17-26-19(29(2)28-17)25-14-5-4-13-10(16(14)20)8-24-27-13;1-3-22-18(29)10-4-5-11(13(21)8-10)17-25-19(28(2)27-17)24-15-7-6-14-12(16(15)20)9-23-26-14/h4-9H,3H2,1-2H3,(H,25,32)(H,26,29)(H,27,28,30);4-8,10H,3H2,1-2H3,(H,23,30)(H,24,27)(H,25,26,28);4-8H,3H2,1-2H3,(H,23,30)(H,24,27)(H,25,26,28);4-9H,3H2,1-2H3,(H,22,29)(H,23,26)(H,24,25,27)
• InChIKey: GZJUMMLBJPHBOW-UHFFFAOYSA-N
• XLogP: 15.33
• TPSA: 425.87 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 25
• Rotatable Bonds: 20
• Heavy Atoms: 121
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1730.39
LogP ≤ 5	15.33
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	25

Frequently Asked Questions

What is the IUPAC name of 4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-cyano-N-ethylbenzamide;4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-ethyl-3,5-difluorobenzamide;4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-ethyl-3-fluorobenzamide;4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-ethyl-3-(trifluoromethyl)benzamide?

The IUPAC name of 4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-cyano-N-ethylbenzamide;4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-ethyl-3,5-difluorobenzamide;4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-ethyl-3-fluorobenzamide;4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-ethyl-3-(trifluoromethyl)benzamide (CID 167579526) is 4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-cyano-N-ethylbenzamide;4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-ethyl-3,5-difluorobenzamide;4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-ethyl-3-fluorobenzamide;4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-ethyl-3-(trifluoromethyl)benzamide.

What is the SMILES notation for 4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-cyano-N-ethylbenzamide;4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-ethyl-3,5-difluorobenzamide;4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-ethyl-3-fluorobenzamide;4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-ethyl-3-(trifluoromethyl)benzamide?

The canonical SMILES for 4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-cyano-N-ethylbenzamide;4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-ethyl-3,5-difluorobenzamide;4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-ethyl-3-fluorobenzamide;4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-ethyl-3-(trifluoromethyl)benzamide is CCNC(=O)c1cc(F)c(-c2nc(Nc3ccc4[nH]ncc4c3Cl)n(C)n2)c(F)c1.CCNC(=O)c1ccc(-c2nc(Nc3ccc4[nH]ncc4c3Cl)n(C)n2)c(C(F)(F)F)c1.CCNC(=O)c1ccc(-c2nc(Nc3ccc4[nH]ncc4c3Cl)n(C)n2)c(F)c1.CCNC(=O)c1ccc(-c2nc(Nc3ccc4[nH]ncc4c3Cl)n(C)n2)cc1C#N.

What is the InChIKey of 4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-cyano-N-ethylbenzamide;4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-ethyl-3,5-difluorobenzamide;4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-ethyl-3-fluorobenzamide;4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-ethyl-3-(trifluoromethyl)benzamide?

The InChIKey is GZJUMMLBJPHBOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClF3N7O.C20H17ClN8O.C19H16ClF2N7O.C19H17ClFN7O/c1-3-25-18(32)10-4-5-11(13(8-10)20(22,23)24)17-28-19(31(2)30-17)27-15-7-6-14-12(16(15)21)9-26-29-14;1-3-23-19(30)13-5-4-11(8-12(13)9-22)18-26-20(29(2)28-18)25-16-7-6-15-14(17(16)21)10-24-27-15;1-3-23-18(30)9-6-11(21)15(12(22)7-9)17-26-19(29(2)28-17)25-14-5-4-13-10(16(14)20)8-24-27-13;1-3-22-18(29)10-4-5-11(13(21)8-10)17-25-19(28(2)27-17)24-15-7-6-14-12(16(15)20)9-23-26-14/h4-9H,3H2,1-2H3,(H,25,32)(H,26,29)(H,27,28,30);4-8,10H,3H2,1-2H3,(H,23,30)(H,24,27)(H,25,26,28);4-8H,3H2,1-2H3,(H,23,30)(H,24,27)(H,25,26,28);4-9H,3H2,1-2H3,(H,22,29)(H,23,26)(H,24,25,27).

What are the key properties of 4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-cyano-N-ethylbenzamide;4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-ethyl-3,5-difluorobenzamide;4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-ethyl-3-fluorobenzamide;4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-ethyl-3-(trifluoromethyl)benzamide?

4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-cyano-N-ethylbenzamide;4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-ethyl-3,5-difluorobenzamide;4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-ethyl-3-fluorobenzamide;4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-ethyl-3-(trifluoromethyl)benzamide has a molecular weight of 1730.39 g/mol, XLogP of 15.33, 20 rotatable bonds, 12 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-cyano-N-ethylbenzamide;4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-ethyl-3,5-difluorobenzamide;4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-ethyl-3-fluorobenzamide;4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-ethyl-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 167579526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).