About N-[3-[(3,3-difluoropiperidin-1-yl)methyl]-5-(trifluoromethyl)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;N-[3-[4-(dimethylamino)butyl]-5-(trifluoromethyl)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;N-[3-[(dimethylamino)methyl]-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-[3-[(4-fluoropiperidin-1-yl)methyl]-5-(trifluoromethyl)phenyl]-4-methylbenzamide;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methyl-N-[3-[4-(methylamino)butyl]-5-(trifluoromethyl)phenyl]benzamide;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methyl-N-[3-[2-(4-pyrrolidin-1-ylcyclohexyl)ethyl]-5-(trifluoromethyl)phenyl]benzamide
N-[3-[(3,3-difluoropiperidin-1-yl)methyl]-5-(trifluoromethyl)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;N-[3-[4-(dimethylamino)butyl]-5-(trifluoromethyl)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;N-[3-[(dimethylamino)methyl]-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-[3-[(4-fluoropiperidin-1-yl)methyl]-5-(trifluoromethyl)phenyl]-4-methylbenzamide;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methyl-N-[3-[4-(methylamino)butyl]-5-(trifluoromethyl)phenyl]benzamide;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methyl-N-[3-[2-(4-pyrrolidin-1-ylcyclohexyl)ethyl]-5-(trifluoromethyl)phenyl]benzamide (PubChem CID 158710382) has the molecular formula C170H185F21N42O6
and a molecular weight of 3311.60 g/mol. Its IUPAC name is N-[3-[(3,3-difluoropiperidin-1-yl)methyl]-5-(trifluoromethyl)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;N-[3-[4-(dimethylamino)butyl]-5-(trifluoromethyl)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;N-[3-[(dimethylamino)methyl]-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-[3-[(4-fluoropiperidin-1-yl)methyl]-5-(trifluoromethyl)phenyl]-4-methylbenzamide;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methyl-N-[3-[4-(methylamino)butyl]-5-(trifluoromethyl)phenyl]benzamide;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methyl-N-[3-[2-(4-pyrrolidin-1-ylcyclohexyl)ethyl]-5-(trifluoromethyl)phenyl]benzamide.
Frequently Asked Questions
What is the IUPAC name of N-[3-[(3,3-difluoropiperidin-1-yl)methyl]-5-(trifluoromethyl)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;N-[3-[4-(dimethylamino)butyl]-5-(trifluoromethyl)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;N-[3-[(dimethylamino)methyl]-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-[3-[(4-fluoropiperidin-1-yl)methyl]-5-(trifluoromethyl)phenyl]-4-methylbenzamide;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methyl-N-[3-[4-(methylamino)butyl]-5-(trifluoromethyl)phenyl]benzamide;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methyl-N-[3-[2-(4-pyrrolidin-1-ylcyclohexyl)ethyl]-5-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of N-[3-[(3,3-difluoropiperidin-1-yl)methyl]-5-(trifluoromethyl)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;N-[3-[4-(dimethylamino)butyl]-5-(trifluoromethyl)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;N-[3-[(dimethylamino)methyl]-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-[3-[(4-fluoropiperidin-1-yl)methyl]-5-(trifluoromethyl)phenyl]-4-methylbenzamide;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methyl-N-[3-[4-(methylamino)butyl]-5-(trifluoromethyl)phenyl]benzamide;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methyl-N-[3-[2-(4-pyrrolidin-1-ylcyclohexyl)ethyl]-5-(trifluoromethyl)phenyl]benzamide (CID 158710382) is N-[3-[(3,3-difluoropiperidin-1-yl)methyl]-5-(trifluoromethyl)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;N-[3-[4-(dimethylamino)butyl]-5-(trifluoromethyl)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;N-[3-[(dimethylamino)methyl]-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-[3-[(4-fluoropiperidin-1-yl)methyl]-5-(trifluoromethyl)phenyl]-4-methylbenzamide;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methyl-N-[3-[4-(methylamino)butyl]-5-(trifluoromethyl)phenyl]benzamide;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methyl-N-[3-[2-(4-pyrrolidin-1-ylcyclohexyl)ethyl]-5-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for N-[3-[(3,3-difluoropiperidin-1-yl)methyl]-5-(trifluoromethyl)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;N-[3-[4-(dimethylamino)butyl]-5-(trifluoromethyl)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;N-[3-[(dimethylamino)methyl]-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-[3-[(4-fluoropiperidin-1-yl)methyl]-5-(trifluoromethyl)phenyl]-4-methylbenzamide;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methyl-N-[3-[4-(methylamino)butyl]-5-(trifluoromethyl)phenyl]benzamide;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methyl-N-[3-[2-(4-pyrrolidin-1-ylcyclohexyl)ethyl]-5-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for N-[3-[(3,3-difluoropiperidin-1-yl)methyl]-5-(trifluoromethyl)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;N-[3-[4-(dimethylamino)butyl]-5-(trifluoromethyl)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;N-[3-[(dimethylamino)methyl]-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-[3-[(4-fluoropiperidin-1-yl)methyl]-5-(trifluoromethyl)phenyl]-4-methylbenzamide;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methyl-N-[3-[4-(methylamino)butyl]-5-(trifluoromethyl)phenyl]benzamide;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methyl-N-[3-[2-(4-pyrrolidin-1-ylcyclohexyl)ethyl]-5-(trifluoromethyl)phenyl]benzamide is CNCCCCc1cc(NC(=O)c2ccc(C)c(-n3cc(-c4cnn(C)c4C)nn3)c2)cc(C(F)(F)F)c1.Cc1ccc(C(=O)Nc2cc(CCC3CCC(N4CCCC4)CC3)cc(C(F)(F)F)c2)cc1-n1cc(-c2cnn(C)c2C)nn1.Cc1ccc(C(=O)Nc2cc(CCCCN(C)C)cc(C(F)(F)F)c2)cc1-n1cc(-c2cnn(C)c2C)nn1.Cc1ccc(C(=O)Nc2cc(CN(C)C)cc(C(F)(F)F)c2)cc1-n1cc(-c2cnn(C)c2C)nn1.Cc1ccc(C(=O)Nc2cc(CN3CCC(F)CC3)cc(C(F)(F)F)c2)cc1-n1cc(-c2cnn(C)c2C)nn1.Cc1ccc(C(=O)Nc2cc(CN3CCCC(F)(F)C3)cc(C(F)(F)F)c2)cc1-n1cc(-c2cnn(C)c2C)nn1.
What is the InChIKey of N-[3-[(3,3-difluoropiperidin-1-yl)methyl]-5-(trifluoromethyl)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;N-[3-[4-(dimethylamino)butyl]-5-(trifluoromethyl)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;N-[3-[(dimethylamino)methyl]-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-[3-[(4-fluoropiperidin-1-yl)methyl]-5-(trifluoromethyl)phenyl]-4-methylbenzamide;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methyl-N-[3-[4-(methylamino)butyl]-5-(trifluoromethyl)phenyl]benzamide;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methyl-N-[3-[2-(4-pyrrolidin-1-ylcyclohexyl)ethyl]-5-(trifluoromethyl)phenyl]benzamide?
The InChIKey is IIQGMOHDLRRMCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H40F3N7O.C28H28F5N7O.C28H29F4N7O.C28H32F3N7O.C27H30F3N7O.C25H26F3N7O/c1-22-6-11-26(18-32(22)44-21-31(40-41-44)30-20-38-42(3)23(30)2)33(45)39-28-17-25(16-27(19-28)34(35,36)37)8-7-24-9-12-29(13-10-24)43-14-4-5-15-43;1-17-5-6-20(11-25(17)40-15-24(36-37-40)23-13-34-38(3)18(23)2)26(41)35-22-10-19(9-21(12-22)28(31,32)33)14-39-8-4-7-27(29,30)16-39;1-17-4-5-20(12-26(17)39-16-25(35-36-39)24-14-33-37(3)18(24)2)27(40)34-23-11-19(10-21(13-23)28(30,31)32)15-38-8-6-22(29)7-9-38;1-18-9-10-21(14-26(18)38-17-25(34-35-38)24-16-32-37(5)19(24)2)27(39)33-23-13-20(8-6-7-11-36(3)4)12-22(15-23)28(29,30)31;1-17-8-9-20(13-25(17)37-16-24(34-35-37)23-15-32-36(4)18(23)2)26(38)33-22-12-19(7-5-6-10-31-3)11-21(14-22)27(28,29)30;1-15-6-7-18(10-23(15)35-14-22(31-32-35)21-12-29-34(5)16(21)2)24(36)30-20-9-17(13-33(3)4)8-19(11-20)25(26,27)28/h6,11,16-21,24,29H,4-5,7-10,12-15H2,1-3H3,(H,39,45);5-6,9-13,15H,4,7-8,14,16H2,1-3H3,(H,35,41);4-5,10-14,16,22H,6-9,15H2,1-3H3,(H,34,40);9-10,12-17H,6-8,11H2,1-5H3,(H,33,39);8-9,11-16,31H,5-7,10H2,1-4H3,(H,33,38);6-12,14H,13H2,1-5H3,(H,30,36).
What are the key properties of N-[3-[(3,3-difluoropiperidin-1-yl)methyl]-5-(trifluoromethyl)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;N-[3-[4-(dimethylamino)butyl]-5-(trifluoromethyl)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;N-[3-[(dimethylamino)methyl]-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-[3-[(4-fluoropiperidin-1-yl)methyl]-5-(trifluoromethyl)phenyl]-4-methylbenzamide;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methyl-N-[3-[4-(methylamino)butyl]-5-(trifluoromethyl)phenyl]benzamide;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methyl-N-[3-[2-(4-pyrrolidin-1-ylcyclohexyl)ethyl]-5-(trifluoromethyl)phenyl]benzamide?
N-[3-[(3,3-difluoropiperidin-1-yl)methyl]-5-(trifluoromethyl)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;N-[3-[4-(dimethylamino)butyl]-5-(trifluoromethyl)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;N-[3-[(dimethylamino)methyl]-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-[3-[(4-fluoropiperidin-1-yl)methyl]-5-(trifluoromethyl)phenyl]-4-methylbenzamide;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methyl-N-[3-[4-(methylamino)butyl]-5-(trifluoromethyl)phenyl]benzamide;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methyl-N-[3-[2-(4-pyrrolidin-1-ylcyclohexyl)ethyl]-5-(trifluoromethyl)phenyl]benzamide has a molecular weight of 3311.60 g/mol, XLogP of 33.57, 44 rotatable bonds, 7 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3,3-difluoropiperidin-1-yl)methyl]-5-(trifluoromethyl)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;N-[3-[4-(dimethylamino)butyl]-5-(trifluoromethyl)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;N-[3-[(dimethylamino)methyl]-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-[3-[(4-fluoropiperidin-1-yl)methyl]-5-(trifluoromethyl)phenyl]-4-methylbenzamide;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methyl-N-[3-[4-(methylamino)butyl]-5-(trifluoromethyl)phenyl]benzamide;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methyl-N-[3-[2-(4-pyrrolidin-1-ylcyclohexyl)ethyl]-5-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 158710382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).