N-[3-(azetidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]-4-chloro-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]benzamide;4-chloro-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-N-[3-[(4-hydroxypiperidin-1-yl)methyl]-5-(trifluoromethyl)phenyl]benzamide;4-chloro-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-N-[3-[(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)methyl]-5-(trifluoromethyl)phenyl]benzamide;4-chloro-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-N-[3-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]benzamide;4-chloro-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-N-[3-(pyrrolidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]benzamide

C133H131Cl5F15N37O6 — CID 158783649

About N-[3-(azetidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]-4-chloro-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]benzamide;4-chloro-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-N-[3-[(4-hydroxypiperidin-1-yl)methyl]-5-(trifluoromethyl)phenyl]benzamide;4-chloro-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-N-[3-[(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)methyl]-5-(trifluoromethyl)phenyl]benzamide;4-chloro-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-N-[3-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]benzamide;4-chloro-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-N-[3-(pyrrolidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]benzamide

N-[3-(azetidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]-4-chloro-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]benzamide;4-chloro-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-N-[3-[(4-hydroxypiperidin-1-yl)methyl]-5-(trifluoromethyl)phenyl]benzamide;4-chloro-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-N-[3-[(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)methyl]-5-(trifluoromethyl)phenyl]benzamide;4-chloro-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-N-[3-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]benzamide;4-chloro-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-N-[3-(pyrrolidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]benzamide (PubChem CID 158783649) has the molecular formula C133H131Cl5F15N37O6 and a molecular weight of 2806.00 g/mol. Its IUPAC name is N-[3-(azetidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]-4-chloro-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]benzamide;4-chloro-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-N-[3-[(4-hydroxypiperidin-1-yl)methyl]-5-(trifluoromethyl)phenyl]benzamide;4-chloro-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-N-[3-[(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)methyl]-5-(trifluoromethyl)phenyl]benzamide;4-chloro-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-N-[3-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]benzamide;4-chloro-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-N-[3-(pyrrolidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

• Compound Name: N-[3-(azetidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]-4-chloro-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]benzamide;4-chloro-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-N-[3-[(4-hydroxypiperidin-1-yl)methyl]-5-(trifluoromethyl)phenyl]benzamide;4-chloro-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-N-[3-[(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)methyl]-5-(trifluoromethyl)phenyl]benzamide;4-chloro-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-N-[3-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]benzamide;4-chloro-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-N-[3-(pyrrolidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]benzamide
• PubChem CID: 158783649
• Molecular Formula: C133H131Cl5F15N37O6
• Molecular Weight: 2806.00 g/mol
• Exact Mass: 2801.93
• IUPAC Name: N-[3-(azetidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]-4-chloro-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]benzamide;4-chloro-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-N-[3-[(4-hydroxypiperidin-1-yl)methyl]-5-(trifluoromethyl)phenyl]benzamide;4-chloro-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-N-[3-[(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)methyl]-5-(trifluoromethyl)phenyl]benzamide;4-chloro-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-N-[3-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]benzamide;4-chloro-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-N-[3-(pyrrolidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]benzamide
• SMILES: Cc1c(-c2cn(-c3cc(C(=O)Nc4cc(CN5CC6CC5CN6C)cc(C(F)(F)F)c4)ccc3Cl)nn2)cnn1C.Cc1c(-c2cn(-c3cc(C(=O)Nc4cc(CN5CCC(O)CC5)cc(C(F)(F)F)c4)ccc3Cl)nn2)cnn1C.Cc1c(-c2cn(-c3cc(C(=O)Nc4cc(CN5CCC5)cc(C(F)(F)F)c4)ccc3Cl)nn2)cnn1C.Cc1c(-c2cn(-c3cc(C(=O)Nc4cc(CN5CCCC5)cc(C(F)(F)F)c4)ccc3Cl)nn2)cnn1C.Cc1c(-c2cn(-c3cc(C(=O)Nc4cc(CN5CCN(C)CC5)cc(C(F)(F)F)c4)ccc3Cl)nn2)cnn1C
• InChI: InChI=1S/C28H28ClF3N8O.C27H28ClF3N8O.C27H27ClF3N7O2.C26H25ClF3N7O.C25H23ClF3N7O/c1-16-23(11-33-38(16)3)25-15-40(36-35-25)26-8-18(4-5-24(26)29)27(41)34-20-7-17(6-19(9-20)28(30,31)32)12-39-14-21-10-22(39)13-37(21)2;1-17-22(14-32-37(17)3)24-16-39(35-34-24)25-12-19(4-5-23(25)28)26(40)33-21-11-18(10-20(13-21)27(29,30)31)15-38-8-6-36(2)7-9-38;1-16-22(13-32-36(16)2)24-15-38(35-34-24)25-11-18(3-4-23(25)28)26(40)33-20-10-17(9-19(12-20)27(29,30)31)14-37-7-5-21(39)6-8-37;1-16-21(13-31-35(16)2)23-15-37(34-33-23)24-11-18(5-6-22(24)27)25(38)32-20-10-17(14-36-7-3-4-8-36)9-19(12-20)26(28,29)30;1-15-20(12-30-34(15)2)22-14-36(33-32-22)23-10-17(4-5-21(23)26)24(37)31-19-9-16(13-35-6-3-7-35)8-18(11-19)25(27,28)29/h4-9,11,15,21-22H,10,12-14H2,1-3H3,(H,34,41);4-5,10-14,16H,6-9,15H2,1-3H3,(H,33,40);3-4,9-13,15,21,39H,5-8,14H2,1-2H3,(H,33,40);5-6,9-13,15H,3-4,7-8,14H2,1-2H3,(H,32,38);4-5,8-12,14H,3,6-7,13H2,1-2H3,(H,31,37)
• InChIKey: IRJZYNLPHAXJJX-UHFFFAOYSA-N
• XLogP: 24.90
• TPSA: 431.06 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 38
• Rotatable Bonds: 30
• Heavy Atoms: 196
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2806.00
LogP ≤ 5	24.90
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	38

Frequently Asked Questions

What is the IUPAC name of N-[3-(azetidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]-4-chloro-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]benzamide;4-chloro-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-N-[3-[(4-hydroxypiperidin-1-yl)methyl]-5-(trifluoromethyl)phenyl]benzamide;4-chloro-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-N-[3-[(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)methyl]-5-(trifluoromethyl)phenyl]benzamide;4-chloro-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-N-[3-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]benzamide;4-chloro-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-N-[3-(pyrrolidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]benzamide?

The IUPAC name of N-[3-(azetidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]-4-chloro-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]benzamide;4-chloro-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-N-[3-[(4-hydroxypiperidin-1-yl)methyl]-5-(trifluoromethyl)phenyl]benzamide;4-chloro-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-N-[3-[(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)methyl]-5-(trifluoromethyl)phenyl]benzamide;4-chloro-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-N-[3-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]benzamide;4-chloro-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-N-[3-(pyrrolidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]benzamide (CID 158783649) is N-[3-(azetidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]-4-chloro-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]benzamide;4-chloro-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-N-[3-[(4-hydroxypiperidin-1-yl)methyl]-5-(trifluoromethyl)phenyl]benzamide;4-chloro-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-N-[3-[(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)methyl]-5-(trifluoromethyl)phenyl]benzamide;4-chloro-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-N-[3-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]benzamide;4-chloro-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-N-[3-(pyrrolidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]benzamide.

What is the SMILES notation for N-[3-(azetidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]-4-chloro-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]benzamide;4-chloro-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-N-[3-[(4-hydroxypiperidin-1-yl)methyl]-5-(trifluoromethyl)phenyl]benzamide;4-chloro-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-N-[3-[(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)methyl]-5-(trifluoromethyl)phenyl]benzamide;4-chloro-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-N-[3-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]benzamide;4-chloro-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-N-[3-(pyrrolidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]benzamide?

The canonical SMILES for N-[3-(azetidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]-4-chloro-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]benzamide;4-chloro-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-N-[3-[(4-hydroxypiperidin-1-yl)methyl]-5-(trifluoromethyl)phenyl]benzamide;4-chloro-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-N-[3-[(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)methyl]-5-(trifluoromethyl)phenyl]benzamide;4-chloro-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-N-[3-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]benzamide;4-chloro-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-N-[3-(pyrrolidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]benzamide is Cc1c(-c2cn(-c3cc(C(=O)Nc4cc(CN5CC6CC5CN6C)cc(C(F)(F)F)c4)ccc3Cl)nn2)cnn1C.Cc1c(-c2cn(-c3cc(C(=O)Nc4cc(CN5CCC(O)CC5)cc(C(F)(F)F)c4)ccc3Cl)nn2)cnn1C.Cc1c(-c2cn(-c3cc(C(=O)Nc4cc(CN5CCC5)cc(C(F)(F)F)c4)ccc3Cl)nn2)cnn1C.Cc1c(-c2cn(-c3cc(C(=O)Nc4cc(CN5CCCC5)cc(C(F)(F)F)c4)ccc3Cl)nn2)cnn1C.Cc1c(-c2cn(-c3cc(C(=O)Nc4cc(CN5CCN(C)CC5)cc(C(F)(F)F)c4)ccc3Cl)nn2)cnn1C.

What is the InChIKey of N-[3-(azetidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]-4-chloro-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]benzamide;4-chloro-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-N-[3-[(4-hydroxypiperidin-1-yl)methyl]-5-(trifluoromethyl)phenyl]benzamide;4-chloro-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-N-[3-[(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)methyl]-5-(trifluoromethyl)phenyl]benzamide;4-chloro-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-N-[3-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]benzamide;4-chloro-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-N-[3-(pyrrolidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]benzamide?

The InChIKey is IRJZYNLPHAXJJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28ClF3N8O.C27H28ClF3N8O.C27H27ClF3N7O2.C26H25ClF3N7O.C25H23ClF3N7O/c1-16-23(11-33-38(16)3)25-15-40(36-35-25)26-8-18(4-5-24(26)29)27(41)34-20-7-17(6-19(9-20)28(30,31)32)12-39-14-21-10-22(39)13-37(21)2;1-17-22(14-32-37(17)3)24-16-39(35-34-24)25-12-19(4-5-23(25)28)26(40)33-21-11-18(10-20(13-21)27(29,30)31)15-38-8-6-36(2)7-9-38;1-16-22(13-32-36(16)2)24-15-38(35-34-24)25-11-18(3-4-23(25)28)26(40)33-20-10-17(9-19(12-20)27(29,30)31)14-37-7-5-21(39)6-8-37;1-16-21(13-31-35(16)2)23-15-37(34-33-23)24-11-18(5-6-22(24)27)25(38)32-20-10-17(14-36-7-3-4-8-36)9-19(12-20)26(28,29)30;1-15-20(12-30-34(15)2)22-14-36(33-32-22)23-10-17(4-5-21(23)26)24(37)31-19-9-16(13-35-6-3-7-35)8-18(11-19)25(27,28)29/h4-9,11,15,21-22H,10,12-14H2,1-3H3,(H,34,41);4-5,10-14,16H,6-9,15H2,1-3H3,(H,33,40);3-4,9-13,15,21,39H,5-8,14H2,1-2H3,(H,33,40);5-6,9-13,15H,3-4,7-8,14H2,1-2H3,(H,32,38);4-5,8-12,14H,3,6-7,13H2,1-2H3,(H,31,37).

What are the key properties of N-[3-(azetidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]-4-chloro-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]benzamide;4-chloro-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-N-[3-[(4-hydroxypiperidin-1-yl)methyl]-5-(trifluoromethyl)phenyl]benzamide;4-chloro-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-N-[3-[(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)methyl]-5-(trifluoromethyl)phenyl]benzamide;4-chloro-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-N-[3-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]benzamide;4-chloro-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-N-[3-(pyrrolidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]benzamide?

N-[3-(azetidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]-4-chloro-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]benzamide;4-chloro-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-N-[3-[(4-hydroxypiperidin-1-yl)methyl]-5-(trifluoromethyl)phenyl]benzamide;4-chloro-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-N-[3-[(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)methyl]-5-(trifluoromethyl)phenyl]benzamide;4-chloro-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-N-[3-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]benzamide;4-chloro-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-N-[3-(pyrrolidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]benzamide has a molecular weight of 2806.00 g/mol, XLogP of 24.90, 30 rotatable bonds, 6 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(azetidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]-4-chloro-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]benzamide;4-chloro-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-N-[3-[(4-hydroxypiperidin-1-yl)methyl]-5-(trifluoromethyl)phenyl]benzamide;4-chloro-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-N-[3-[(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)methyl]-5-(trifluoromethyl)phenyl]benzamide;4-chloro-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-N-[3-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]benzamide;4-chloro-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-N-[3-(pyrrolidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 158783649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).