N-[3-[2-(dimethylamino)ethyl-methylamino]-5-(trifluoromethyl)phenyl]-4-methyl-3-[4-[2-(2-methylpropanoylamino)-1,3-thiazol-5-yl]triazol-1-yl]benzamide;N-[3-[4-(dimethylamino)piperidin-1-yl]-2-methoxy-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-[2-methoxy-3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-4-methylbenzamide;N-[4-fluoro-3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-4-methyl-3-[4-(1-methylpyrazol-4-yl)triazol-1-yl]benzamide;4-methyl-N-[3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-3-[4-(1-methylpyrazol-4-yl)triazol-1-yl]benzamide

C139H152F16N40O8S — CID 159337183

About N-[3-[2-(dimethylamino)ethyl-methylamino]-5-(trifluoromethyl)phenyl]-4-methyl-3-[4-[2-(2-methylpropanoylamino)-1,3-thiazol-5-yl]triazol-1-yl]benzamide;N-[3-[4-(dimethylamino)piperidin-1-yl]-2-methoxy-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-[2-methoxy-3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-4-methylbenzamide;N-[4-fluoro-3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-4-methyl-3-[4-(1-methylpyrazol-4-yl)triazol-1-yl]benzamide;4-methyl-N-[3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-3-[4-(1-methylpyrazol-4-yl)triazol-1-yl]benzamide

N-[3-[2-(dimethylamino)ethyl-methylamino]-5-(trifluoromethyl)phenyl]-4-methyl-3-[4-[2-(2-methylpropanoylamino)-1,3-thiazol-5-yl]triazol-1-yl]benzamide;N-[3-[4-(dimethylamino)piperidin-1-yl]-2-methoxy-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-[2-methoxy-3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-4-methylbenzamide;N-[4-fluoro-3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-4-methyl-3-[4-(1-methylpyrazol-4-yl)triazol-1-yl]benzamide;4-methyl-N-[3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-3-[4-(1-methylpyrazol-4-yl)triazol-1-yl]benzamide (PubChem CID 159337183) has the molecular formula C139H152F16N40O8S and a molecular weight of 2847.05 g/mol. Its IUPAC name is N-[3-[2-(dimethylamino)ethyl-methylamino]-5-(trifluoromethyl)phenyl]-4-methyl-3-[4-[2-(2-methylpropanoylamino)-1,3-thiazol-5-yl]triazol-1-yl]benzamide;N-[3-[4-(dimethylamino)piperidin-1-yl]-2-methoxy-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-[2-methoxy-3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-4-methylbenzamide;N-[4-fluoro-3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-4-methyl-3-[4-(1-methylpyrazol-4-yl)triazol-1-yl]benzamide;4-methyl-N-[3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-3-[4-(1-methylpyrazol-4-yl)triazol-1-yl]benzamide.

Molecular Properties

• Compound Name: N-[3-[2-(dimethylamino)ethyl-methylamino]-5-(trifluoromethyl)phenyl]-4-methyl-3-[4-[2-(2-methylpropanoylamino)-1,3-thiazol-5-yl]triazol-1-yl]benzamide;N-[3-[4-(dimethylamino)piperidin-1-yl]-2-methoxy-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-[2-methoxy-3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-4-methylbenzamide;N-[4-fluoro-3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-4-methyl-3-[4-(1-methylpyrazol-4-yl)triazol-1-yl]benzamide;4-methyl-N-[3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-3-[4-(1-methylpyrazol-4-yl)triazol-1-yl]benzamide
• PubChem CID: 159337183
• Molecular Formula: C139H152F16N40O8S
• Molecular Weight: 2847.05 g/mol
• Exact Mass: 2845.22
• IUPAC Name: N-[3-[2-(dimethylamino)ethyl-methylamino]-5-(trifluoromethyl)phenyl]-4-methyl-3-[4-[2-(2-methylpropanoylamino)-1,3-thiazol-5-yl]triazol-1-yl]benzamide;N-[3-[4-(dimethylamino)piperidin-1-yl]-2-methoxy-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-[2-methoxy-3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-4-methylbenzamide;N-[4-fluoro-3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-4-methyl-3-[4-(1-methylpyrazol-4-yl)triazol-1-yl]benzamide;4-methyl-N-[3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-3-[4-(1-methylpyrazol-4-yl)triazol-1-yl]benzamide
• SMILES: COc1c(NC(=O)c2ccc(C)c(-n3cc(-c4cnn(C)c4C)nn3)c2)cc(C(F)(F)F)cc1N1CCC(N(C)C)CC1.COc1c(NC(=O)c2ccc(C)c(-n3cc(-c4cnn(C)c4C)nn3)c2)cc(C(F)(F)F)cc1N1CCN(C)CC1.Cc1ccc(C(=O)Nc2cc(N(C)CCN(C)C)cc(C(F)(F)F)c2)cc1-n1cc(-c2cnc(NC(=O)C(C)C)s2)nn1.Cc1ccc(C(=O)Nc2cc(N3CCN(C)CC3)c(F)c(C(F)(F)F)c2)cc1-n1cc(-c2cnn(C)c2)nn1.Cc1ccc(C(=O)Nc2cc(N3CCN(C)CC3)cc(C(F)(F)F)c2)cc1-n1cc(-c2cnn(C)c2)nn1
• InChI: InChI=1S/C30H35F3N8O2.C29H33F3N8O2S.C28H31F3N8O2.C26H26F4N8O.C26H27F3N8O/c1-18-7-8-20(13-26(18)41-17-25(36-37-41)23-16-34-39(5)19(23)2)29(42)35-24-14-21(30(31,32)33)15-27(28(24)43-6)40-11-9-22(10-12-40)38(3)4;1-17(2)26(41)35-28-33-15-25(43-28)23-16-40(37-36-23)24-11-19(8-7-18(24)3)27(42)34-21-12-20(29(30,31)32)13-22(14-21)39(6)10-9-38(4)5;1-17-6-7-19(12-24(17)39-16-23(34-35-39)21-15-32-37(4)18(21)2)27(40)33-22-13-20(28(29,30)31)14-25(26(22)41-5)38-10-8-36(3)9-11-38;1-16-4-5-17(10-22(16)38-15-21(33-34-38)18-13-31-36(3)14-18)25(39)32-19-11-20(26(28,29)30)24(27)23(12-19)37-8-6-35(2)7-9-37;1-17-4-5-18(10-24(17)37-16-23(32-33-37)19-14-30-35(3)15-19)25(38)31-21-11-20(26(27,28)29)12-22(13-21)36-8-6-34(2)7-9-36/h7-8,13-17,22H,9-12H2,1-6H3,(H,35,42);7-8,11-17H,9-10H2,1-6H3,(H,34,42)(H,33,35,41);6-7,12-16H,8-11H2,1-5H3,(H,33,40);4-5,10-15H,6-9H2,1-3H3,(H,32,39);4-5,10-16H,6-9H2,1-3H3,(H,31,38)
• InChIKey: LFRPCLRRPLPTFO-UHFFFAOYSA-N
• XLogP: 23.11
• TPSA: 463.18 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 43
• Rotatable Bonds: 33
• Heavy Atoms: 204
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2847.05
LogP ≤ 5	23.11
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	43

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(dimethylamino)ethyl-methylamino]-5-(trifluoromethyl)phenyl]-4-methyl-3-[4-[2-(2-methylpropanoylamino)-1,3-thiazol-5-yl]triazol-1-yl]benzamide;N-[3-[4-(dimethylamino)piperidin-1-yl]-2-methoxy-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-[2-methoxy-3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-4-methylbenzamide;N-[4-fluoro-3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-4-methyl-3-[4-(1-methylpyrazol-4-yl)triazol-1-yl]benzamide;4-methyl-N-[3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-3-[4-(1-methylpyrazol-4-yl)triazol-1-yl]benzamide?

The IUPAC name of N-[3-[2-(dimethylamino)ethyl-methylamino]-5-(trifluoromethyl)phenyl]-4-methyl-3-[4-[2-(2-methylpropanoylamino)-1,3-thiazol-5-yl]triazol-1-yl]benzamide;N-[3-[4-(dimethylamino)piperidin-1-yl]-2-methoxy-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-[2-methoxy-3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-4-methylbenzamide;N-[4-fluoro-3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-4-methyl-3-[4-(1-methylpyrazol-4-yl)triazol-1-yl]benzamide;4-methyl-N-[3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-3-[4-(1-methylpyrazol-4-yl)triazol-1-yl]benzamide (CID 159337183) is N-[3-[2-(dimethylamino)ethyl-methylamino]-5-(trifluoromethyl)phenyl]-4-methyl-3-[4-[2-(2-methylpropanoylamino)-1,3-thiazol-5-yl]triazol-1-yl]benzamide;N-[3-[4-(dimethylamino)piperidin-1-yl]-2-methoxy-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-[2-methoxy-3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-4-methylbenzamide;N-[4-fluoro-3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-4-methyl-3-[4-(1-methylpyrazol-4-yl)triazol-1-yl]benzamide;4-methyl-N-[3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-3-[4-(1-methylpyrazol-4-yl)triazol-1-yl]benzamide.

What is the SMILES notation for N-[3-[2-(dimethylamino)ethyl-methylamino]-5-(trifluoromethyl)phenyl]-4-methyl-3-[4-[2-(2-methylpropanoylamino)-1,3-thiazol-5-yl]triazol-1-yl]benzamide;N-[3-[4-(dimethylamino)piperidin-1-yl]-2-methoxy-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-[2-methoxy-3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-4-methylbenzamide;N-[4-fluoro-3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-4-methyl-3-[4-(1-methylpyrazol-4-yl)triazol-1-yl]benzamide;4-methyl-N-[3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-3-[4-(1-methylpyrazol-4-yl)triazol-1-yl]benzamide?

The canonical SMILES for N-[3-[2-(dimethylamino)ethyl-methylamino]-5-(trifluoromethyl)phenyl]-4-methyl-3-[4-[2-(2-methylpropanoylamino)-1,3-thiazol-5-yl]triazol-1-yl]benzamide;N-[3-[4-(dimethylamino)piperidin-1-yl]-2-methoxy-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-[2-methoxy-3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-4-methylbenzamide;N-[4-fluoro-3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-4-methyl-3-[4-(1-methylpyrazol-4-yl)triazol-1-yl]benzamide;4-methyl-N-[3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-3-[4-(1-methylpyrazol-4-yl)triazol-1-yl]benzamide is COc1c(NC(=O)c2ccc(C)c(-n3cc(-c4cnn(C)c4C)nn3)c2)cc(C(F)(F)F)cc1N1CCC(N(C)C)CC1.COc1c(NC(=O)c2ccc(C)c(-n3cc(-c4cnn(C)c4C)nn3)c2)cc(C(F)(F)F)cc1N1CCN(C)CC1.Cc1ccc(C(=O)Nc2cc(N(C)CCN(C)C)cc(C(F)(F)F)c2)cc1-n1cc(-c2cnc(NC(=O)C(C)C)s2)nn1.Cc1ccc(C(=O)Nc2cc(N3CCN(C)CC3)c(F)c(C(F)(F)F)c2)cc1-n1cc(-c2cnn(C)c2)nn1.Cc1ccc(C(=O)Nc2cc(N3CCN(C)CC3)cc(C(F)(F)F)c2)cc1-n1cc(-c2cnn(C)c2)nn1.

What is the InChIKey of N-[3-[2-(dimethylamino)ethyl-methylamino]-5-(trifluoromethyl)phenyl]-4-methyl-3-[4-[2-(2-methylpropanoylamino)-1,3-thiazol-5-yl]triazol-1-yl]benzamide;N-[3-[4-(dimethylamino)piperidin-1-yl]-2-methoxy-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-[2-methoxy-3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-4-methylbenzamide;N-[4-fluoro-3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-4-methyl-3-[4-(1-methylpyrazol-4-yl)triazol-1-yl]benzamide;4-methyl-N-[3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-3-[4-(1-methylpyrazol-4-yl)triazol-1-yl]benzamide?

The InChIKey is LFRPCLRRPLPTFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35F3N8O2.C29H33F3N8O2S.C28H31F3N8O2.C26H26F4N8O.C26H27F3N8O/c1-18-7-8-20(13-26(18)41-17-25(36-37-41)23-16-34-39(5)19(23)2)29(42)35-24-14-21(30(31,32)33)15-27(28(24)43-6)40-11-9-22(10-12-40)38(3)4;1-17(2)26(41)35-28-33-15-25(43-28)23-16-40(37-36-23)24-11-19(8-7-18(24)3)27(42)34-21-12-20(29(30,31)32)13-22(14-21)39(6)10-9-38(4)5;1-17-6-7-19(12-24(17)39-16-23(34-35-39)21-15-32-37(4)18(21)2)27(40)33-22-13-20(28(29,30)31)14-25(26(22)41-5)38-10-8-36(3)9-11-38;1-16-4-5-17(10-22(16)38-15-21(33-34-38)18-13-31-36(3)14-18)25(39)32-19-11-20(26(28,29)30)24(27)23(12-19)37-8-6-35(2)7-9-37;1-17-4-5-18(10-24(17)37-16-23(32-33-37)19-14-30-35(3)15-19)25(38)31-21-11-20(26(27,28)29)12-22(13-21)36-8-6-34(2)7-9-36/h7-8,13-17,22H,9-12H2,1-6H3,(H,35,42);7-8,11-17H,9-10H2,1-6H3,(H,34,42)(H,33,35,41);6-7,12-16H,8-11H2,1-5H3,(H,33,40);4-5,10-15H,6-9H2,1-3H3,(H,32,39);4-5,10-16H,6-9H2,1-3H3,(H,31,38).

What are the key properties of N-[3-[2-(dimethylamino)ethyl-methylamino]-5-(trifluoromethyl)phenyl]-4-methyl-3-[4-[2-(2-methylpropanoylamino)-1,3-thiazol-5-yl]triazol-1-yl]benzamide;N-[3-[4-(dimethylamino)piperidin-1-yl]-2-methoxy-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-[2-methoxy-3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-4-methylbenzamide;N-[4-fluoro-3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-4-methyl-3-[4-(1-methylpyrazol-4-yl)triazol-1-yl]benzamide;4-methyl-N-[3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-3-[4-(1-methylpyrazol-4-yl)triazol-1-yl]benzamide?

N-[3-[2-(dimethylamino)ethyl-methylamino]-5-(trifluoromethyl)phenyl]-4-methyl-3-[4-[2-(2-methylpropanoylamino)-1,3-thiazol-5-yl]triazol-1-yl]benzamide;N-[3-[4-(dimethylamino)piperidin-1-yl]-2-methoxy-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-[2-methoxy-3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-4-methylbenzamide;N-[4-fluoro-3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-4-methyl-3-[4-(1-methylpyrazol-4-yl)triazol-1-yl]benzamide;4-methyl-N-[3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-3-[4-(1-methylpyrazol-4-yl)triazol-1-yl]benzamide has a molecular weight of 2847.05 g/mol, XLogP of 23.11, 33 rotatable bonds, 6 hydrogen bond donors, and 43 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[2-(dimethylamino)ethyl-methylamino]-5-(trifluoromethyl)phenyl]-4-methyl-3-[4-[2-(2-methylpropanoylamino)-1,3-thiazol-5-yl]triazol-1-yl]benzamide;N-[3-[4-(dimethylamino)piperidin-1-yl]-2-methoxy-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-[2-methoxy-3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-4-methylbenzamide;N-[4-fluoro-3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-4-methyl-3-[4-(1-methylpyrazol-4-yl)triazol-1-yl]benzamide;4-methyl-N-[3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-3-[4-(1-methylpyrazol-4-yl)triazol-1-yl]benzamide is sourced from PubChem (CID 159337183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).