N-[3-(4-cyclobutylpiperazin-1-yl)-4-fluoro-5-(trifluoromethyl)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;N-[3-[4-(cyclopropylmethyl)piperazin-1-yl]-4-fluoro-5-(trifluoromethyl)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;N-[3-[2-(dimethylamino)ethylamino]-4-fluoro-5-(trifluoromethyl)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-N-[4-fluoro-3-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]-4-methylbenzamide;N-[4-fluoro-3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-4-methyl-3-[4-(1,3-thiazol-5-yl)triazol-1-yl]benzamide

C137H140F20N38O5S — CID 160914313

About N-[3-(4-cyclobutylpiperazin-1-yl)-4-fluoro-5-(trifluoromethyl)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;N-[3-[4-(cyclopropylmethyl)piperazin-1-yl]-4-fluoro-5-(trifluoromethyl)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;N-[3-[2-(dimethylamino)ethylamino]-4-fluoro-5-(trifluoromethyl)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-N-[4-fluoro-3-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]-4-methylbenzamide;N-[4-fluoro-3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-4-methyl-3-[4-(1,3-thiazol-5-yl)triazol-1-yl]benzamide

N-[3-(4-cyclobutylpiperazin-1-yl)-4-fluoro-5-(trifluoromethyl)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;N-[3-[4-(cyclopropylmethyl)piperazin-1-yl]-4-fluoro-5-(trifluoromethyl)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;N-[3-[2-(dimethylamino)ethylamino]-4-fluoro-5-(trifluoromethyl)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-N-[4-fluoro-3-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]-4-methylbenzamide;N-[4-fluoro-3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-4-methyl-3-[4-(1,3-thiazol-5-yl)triazol-1-yl]benzamide (PubChem CID 160914313) has the molecular formula C137H140F20N38O5S and a molecular weight of 2810.91 g/mol. Its IUPAC name is N-[3-(4-cyclobutylpiperazin-1-yl)-4-fluoro-5-(trifluoromethyl)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;N-[3-[4-(cyclopropylmethyl)piperazin-1-yl]-4-fluoro-5-(trifluoromethyl)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;N-[3-[2-(dimethylamino)ethylamino]-4-fluoro-5-(trifluoromethyl)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-N-[4-fluoro-3-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]-4-methylbenzamide;N-[4-fluoro-3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-4-methyl-3-[4-(1,3-thiazol-5-yl)triazol-1-yl]benzamide.

Molecular Properties

• Compound Name: N-[3-(4-cyclobutylpiperazin-1-yl)-4-fluoro-5-(trifluoromethyl)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;N-[3-[4-(cyclopropylmethyl)piperazin-1-yl]-4-fluoro-5-(trifluoromethyl)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;N-[3-[2-(dimethylamino)ethylamino]-4-fluoro-5-(trifluoromethyl)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-N-[4-fluoro-3-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]-4-methylbenzamide;N-[4-fluoro-3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-4-methyl-3-[4-(1,3-thiazol-5-yl)triazol-1-yl]benzamide
• PubChem CID: 160914313
• Molecular Formula: C137H140F20N38O5S
• Molecular Weight: 2810.91 g/mol
• Exact Mass: 2809.13
• IUPAC Name: N-[3-(4-cyclobutylpiperazin-1-yl)-4-fluoro-5-(trifluoromethyl)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;N-[3-[4-(cyclopropylmethyl)piperazin-1-yl]-4-fluoro-5-(trifluoromethyl)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;N-[3-[2-(dimethylamino)ethylamino]-4-fluoro-5-(trifluoromethyl)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-N-[4-fluoro-3-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]-4-methylbenzamide;N-[4-fluoro-3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-4-methyl-3-[4-(1,3-thiazol-5-yl)triazol-1-yl]benzamide
• SMILES: Cc1ccc(C(=O)Nc2cc(N3CCCC3)c(F)c(C(F)(F)F)c2)cc1-n1cc(-c2cnn(C)c2C)nn1.Cc1ccc(C(=O)Nc2cc(N3CCN(C)CC3)c(F)c(C(F)(F)F)c2)cc1-n1cc(-c2cncs2)nn1.Cc1ccc(C(=O)Nc2cc(N3CCN(C4CCC4)CC3)c(F)c(C(F)(F)F)c2)cc1-n1cc(-c2cnn(C)c2C)nn1.Cc1ccc(C(=O)Nc2cc(N3CCN(CC4CC4)CC3)c(F)c(C(F)(F)F)c2)cc1-n1cc(-c2cnn(C)c2C)nn1.Cc1ccc(C(=O)Nc2cc(NCCN(C)C)c(F)c(C(F)(F)F)c2)cc1-n1cc(-c2cnn(C)c2C)nn1
• InChI: InChI=1S/2C30H32F4N8O.C26H28F4N8O.C26H25F4N7O.C25H23F4N7OS/c1-18-4-7-21(12-26(18)42-17-25(37-38-42)23-15-35-39(3)19(23)2)29(43)36-22-13-24(30(32,33)34)28(31)27(14-22)41-10-8-40(9-11-41)16-20-5-6-20;1-18-7-8-20(13-26(18)42-17-25(37-38-42)23-16-35-39(3)19(23)2)29(43)36-21-14-24(30(32,33)34)28(31)27(15-21)41-11-9-40(10-12-41)22-5-4-6-22;1-15-6-7-17(10-23(15)38-14-22(34-35-38)19-13-32-37(5)16(19)2)25(39)33-18-11-20(26(28,29)30)24(27)21(12-18)31-8-9-36(3)4;1-15-6-7-17(10-22(15)37-14-21(33-34-37)19-13-31-35(3)16(19)2)25(38)32-18-11-20(26(28,29)30)24(27)23(12-18)36-8-4-5-9-36;1-15-3-4-16(9-20(15)36-13-19(32-33-36)22-12-30-14-38-22)24(37)31-17-10-18(25(27,28)29)23(26)21(11-17)35-7-5-34(2)6-8-35/h4,7,12-15,17,20H,5-6,8-11,16H2,1-3H3,(H,36,43);7-8,13-17,22H,4-6,9-12H2,1-3H3,(H,36,43);6-7,10-14,31H,8-9H2,1-5H3,(H,33,39);6-7,10-14H,4-5,8-9H2,1-3H3,(H,32,38);3-4,9-14H,5-8H2,1-2H3,(H,31,37)
• InChIKey: SREYKMGACIKOOS-UHFFFAOYSA-N
• XLogP: 25.42
• TPSA: 421.17 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 39
• Rotatable Bonds: 31
• Heavy Atoms: 201
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2810.91
LogP ≤ 5	25.42
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	39

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-cyclobutylpiperazin-1-yl)-4-fluoro-5-(trifluoromethyl)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;N-[3-[4-(cyclopropylmethyl)piperazin-1-yl]-4-fluoro-5-(trifluoromethyl)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;N-[3-[2-(dimethylamino)ethylamino]-4-fluoro-5-(trifluoromethyl)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-N-[4-fluoro-3-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]-4-methylbenzamide;N-[4-fluoro-3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-4-methyl-3-[4-(1,3-thiazol-5-yl)triazol-1-yl]benzamide?

The IUPAC name of N-[3-(4-cyclobutylpiperazin-1-yl)-4-fluoro-5-(trifluoromethyl)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;N-[3-[4-(cyclopropylmethyl)piperazin-1-yl]-4-fluoro-5-(trifluoromethyl)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;N-[3-[2-(dimethylamino)ethylamino]-4-fluoro-5-(trifluoromethyl)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-N-[4-fluoro-3-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]-4-methylbenzamide;N-[4-fluoro-3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-4-methyl-3-[4-(1,3-thiazol-5-yl)triazol-1-yl]benzamide (CID 160914313) is N-[3-(4-cyclobutylpiperazin-1-yl)-4-fluoro-5-(trifluoromethyl)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;N-[3-[4-(cyclopropylmethyl)piperazin-1-yl]-4-fluoro-5-(trifluoromethyl)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;N-[3-[2-(dimethylamino)ethylamino]-4-fluoro-5-(trifluoromethyl)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-N-[4-fluoro-3-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]-4-methylbenzamide;N-[4-fluoro-3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-4-methyl-3-[4-(1,3-thiazol-5-yl)triazol-1-yl]benzamide.

What is the SMILES notation for N-[3-(4-cyclobutylpiperazin-1-yl)-4-fluoro-5-(trifluoromethyl)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;N-[3-[4-(cyclopropylmethyl)piperazin-1-yl]-4-fluoro-5-(trifluoromethyl)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;N-[3-[2-(dimethylamino)ethylamino]-4-fluoro-5-(trifluoromethyl)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-N-[4-fluoro-3-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]-4-methylbenzamide;N-[4-fluoro-3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-4-methyl-3-[4-(1,3-thiazol-5-yl)triazol-1-yl]benzamide?

The canonical SMILES for N-[3-(4-cyclobutylpiperazin-1-yl)-4-fluoro-5-(trifluoromethyl)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;N-[3-[4-(cyclopropylmethyl)piperazin-1-yl]-4-fluoro-5-(trifluoromethyl)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;N-[3-[2-(dimethylamino)ethylamino]-4-fluoro-5-(trifluoromethyl)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-N-[4-fluoro-3-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]-4-methylbenzamide;N-[4-fluoro-3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-4-methyl-3-[4-(1,3-thiazol-5-yl)triazol-1-yl]benzamide is Cc1ccc(C(=O)Nc2cc(N3CCCC3)c(F)c(C(F)(F)F)c2)cc1-n1cc(-c2cnn(C)c2C)nn1.Cc1ccc(C(=O)Nc2cc(N3CCN(C)CC3)c(F)c(C(F)(F)F)c2)cc1-n1cc(-c2cncs2)nn1.Cc1ccc(C(=O)Nc2cc(N3CCN(C4CCC4)CC3)c(F)c(C(F)(F)F)c2)cc1-n1cc(-c2cnn(C)c2C)nn1.Cc1ccc(C(=O)Nc2cc(N3CCN(CC4CC4)CC3)c(F)c(C(F)(F)F)c2)cc1-n1cc(-c2cnn(C)c2C)nn1.Cc1ccc(C(=O)Nc2cc(NCCN(C)C)c(F)c(C(F)(F)F)c2)cc1-n1cc(-c2cnn(C)c2C)nn1.

What is the InChIKey of N-[3-(4-cyclobutylpiperazin-1-yl)-4-fluoro-5-(trifluoromethyl)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;N-[3-[4-(cyclopropylmethyl)piperazin-1-yl]-4-fluoro-5-(trifluoromethyl)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;N-[3-[2-(dimethylamino)ethylamino]-4-fluoro-5-(trifluoromethyl)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-N-[4-fluoro-3-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]-4-methylbenzamide;N-[4-fluoro-3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-4-methyl-3-[4-(1,3-thiazol-5-yl)triazol-1-yl]benzamide?

The InChIKey is SREYKMGACIKOOS-UHFFFAOYSA-N. The full InChI is InChI=1S/2C30H32F4N8O.C26H28F4N8O.C26H25F4N7O.C25H23F4N7OS/c1-18-4-7-21(12-26(18)42-17-25(37-38-42)23-15-35-39(3)19(23)2)29(43)36-22-13-24(30(32,33)34)28(31)27(14-22)41-10-8-40(9-11-41)16-20-5-6-20;1-18-7-8-20(13-26(18)42-17-25(37-38-42)23-16-35-39(3)19(23)2)29(43)36-21-14-24(30(32,33)34)28(31)27(15-21)41-11-9-40(10-12-41)22-5-4-6-22;1-15-6-7-17(10-23(15)38-14-22(34-35-38)19-13-32-37(5)16(19)2)25(39)33-18-11-20(26(28,29)30)24(27)21(12-18)31-8-9-36(3)4;1-15-6-7-17(10-22(15)37-14-21(33-34-37)19-13-31-35(3)16(19)2)25(38)32-18-11-20(26(28,29)30)24(27)23(12-18)36-8-4-5-9-36;1-15-3-4-16(9-20(15)36-13-19(32-33-36)22-12-30-14-38-22)24(37)31-17-10-18(25(27,28)29)23(26)21(11-17)35-7-5-34(2)6-8-35/h4,7,12-15,17,20H,5-6,8-11,16H2,1-3H3,(H,36,43);7-8,13-17,22H,4-6,9-12H2,1-3H3,(H,36,43);6-7,10-14,31H,8-9H2,1-5H3,(H,33,39);6-7,10-14H,4-5,8-9H2,1-3H3,(H,32,38);3-4,9-14H,5-8H2,1-2H3,(H,31,37).

What are the key properties of N-[3-(4-cyclobutylpiperazin-1-yl)-4-fluoro-5-(trifluoromethyl)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;N-[3-[4-(cyclopropylmethyl)piperazin-1-yl]-4-fluoro-5-(trifluoromethyl)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;N-[3-[2-(dimethylamino)ethylamino]-4-fluoro-5-(trifluoromethyl)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-N-[4-fluoro-3-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]-4-methylbenzamide;N-[4-fluoro-3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-4-methyl-3-[4-(1,3-thiazol-5-yl)triazol-1-yl]benzamide?

N-[3-(4-cyclobutylpiperazin-1-yl)-4-fluoro-5-(trifluoromethyl)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;N-[3-[4-(cyclopropylmethyl)piperazin-1-yl]-4-fluoro-5-(trifluoromethyl)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;N-[3-[2-(dimethylamino)ethylamino]-4-fluoro-5-(trifluoromethyl)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-N-[4-fluoro-3-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]-4-methylbenzamide;N-[4-fluoro-3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-4-methyl-3-[4-(1,3-thiazol-5-yl)triazol-1-yl]benzamide has a molecular weight of 2810.91 g/mol, XLogP of 25.42, 31 rotatable bonds, 6 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(4-cyclobutylpiperazin-1-yl)-4-fluoro-5-(trifluoromethyl)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;N-[3-[4-(cyclopropylmethyl)piperazin-1-yl]-4-fluoro-5-(trifluoromethyl)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;N-[3-[2-(dimethylamino)ethylamino]-4-fluoro-5-(trifluoromethyl)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-N-[4-fluoro-3-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]-4-methylbenzamide;N-[4-fluoro-3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-4-methyl-3-[4-(1,3-thiazol-5-yl)triazol-1-yl]benzamide is sourced from PubChem (CID 160914313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).