4-chloro-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-N-[4-fluoro-3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]benzamide;N-[3-[3-(dimethylamino)propyl-methylamino]-2-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]-4-methyl-N-[2-methyl-3-[methyl(2-pyrrolidin-1-ylethyl)amino]-5-(trifluoromethyl)phenyl]benzamide

C85H95ClF10N24O3 — CID 160819861

About 4-chloro-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-N-[4-fluoro-3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]benzamide;N-[3-[3-(dimethylamino)propyl-methylamino]-2-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]-4-methyl-N-[2-methyl-3-[methyl(2-pyrrolidin-1-ylethyl)amino]-5-(trifluoromethyl)phenyl]benzamide

4-chloro-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-N-[4-fluoro-3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]benzamide;N-[3-[3-(dimethylamino)propyl-methylamino]-2-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]-4-methyl-N-[2-methyl-3-[methyl(2-pyrrolidin-1-ylethyl)amino]-5-(trifluoromethyl)phenyl]benzamide (PubChem CID 160819861) has the molecular formula C85H95ClF10N24O3 and a molecular weight of 1726.29 g/mol. Its IUPAC name is 4-chloro-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-N-[4-fluoro-3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]benzamide;N-[3-[3-(dimethylamino)propyl-methylamino]-2-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]-4-methyl-N-[2-methyl-3-[methyl(2-pyrrolidin-1-ylethyl)amino]-5-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

• Compound Name: 4-chloro-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-N-[4-fluoro-3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]benzamide;N-[3-[3-(dimethylamino)propyl-methylamino]-2-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]-4-methyl-N-[2-methyl-3-[methyl(2-pyrrolidin-1-ylethyl)amino]-5-(trifluoromethyl)phenyl]benzamide
• PubChem CID: 160819861
• Molecular Formula: C85H95ClF10N24O3
• Molecular Weight: 1726.29 g/mol
• Exact Mass: 1724.75
• IUPAC Name: 4-chloro-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-N-[4-fluoro-3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]benzamide;N-[3-[3-(dimethylamino)propyl-methylamino]-2-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]-4-methyl-N-[2-methyl-3-[methyl(2-pyrrolidin-1-ylethyl)amino]-5-(trifluoromethyl)phenyl]benzamide
• SMILES: Cc1c(-c2cn(-c3cc(C(=O)Nc4cc(N5CCN(C)CC5)c(F)c(C(F)(F)F)c4)ccc3Cl)nn2)cnn1C.Cc1ccc(C(=O)Nc2cc(C(F)(F)F)cc(N(C)CCCN(C)C)c2C)cc1-n1cc(-c2cnn(C)c2C)nn1.Cc1ccc(C(=O)Nc2cc(C(F)(F)F)cc(N(C)CCN3CCCC3)c2C)cc1-n1cc(-c2cnn(C)c2C)nn1
• InChI: InChI=1S/C30H35F3N8O.C29H35F3N8O.C26H25ClF4N8O/c1-19-8-9-22(14-27(19)41-18-26(36-37-41)24-17-34-39(5)21(24)3)29(42)35-25-15-23(30(31,32)33)16-28(20(25)2)38(4)12-13-40-10-6-7-11-40;1-18-9-10-21(13-26(18)40-17-25(35-36-40)23-16-33-39(7)20(23)3)28(41)34-24-14-22(29(30,31)32)15-27(19(24)2)38(6)12-8-11-37(4)5;1-15-18(13-32-37(15)3)21-14-39(35-34-21)22-10-16(4-5-20(22)27)25(40)33-17-11-19(26(29,30)31)24(28)23(12-17)38-8-6-36(2)7-9-38/h8-9,14-18H,6-7,10-13H2,1-5H3,(H,35,42);9-10,13-17H,8,11-12H2,1-7H3,(H,34,41);4-5,10-14H,6-9H2,1-3H3,(H,33,40)
• InChIKey: SFJXHUTUWSGISM-UHFFFAOYSA-N
• XLogP: 15.44
• TPSA: 252.33 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 24
• Rotatable Bonds: 22
• Heavy Atoms: 123
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1726.29
LogP ≤ 5	15.44
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-N-[4-fluoro-3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]benzamide;N-[3-[3-(dimethylamino)propyl-methylamino]-2-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]-4-methyl-N-[2-methyl-3-[methyl(2-pyrrolidin-1-ylethyl)amino]-5-(trifluoromethyl)phenyl]benzamide?

The IUPAC name of 4-chloro-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-N-[4-fluoro-3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]benzamide;N-[3-[3-(dimethylamino)propyl-methylamino]-2-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]-4-methyl-N-[2-methyl-3-[methyl(2-pyrrolidin-1-ylethyl)amino]-5-(trifluoromethyl)phenyl]benzamide (CID 160819861) is 4-chloro-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-N-[4-fluoro-3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]benzamide;N-[3-[3-(dimethylamino)propyl-methylamino]-2-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]-4-methyl-N-[2-methyl-3-[methyl(2-pyrrolidin-1-ylethyl)amino]-5-(trifluoromethyl)phenyl]benzamide.

What is the SMILES notation for 4-chloro-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-N-[4-fluoro-3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]benzamide;N-[3-[3-(dimethylamino)propyl-methylamino]-2-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]-4-methyl-N-[2-methyl-3-[methyl(2-pyrrolidin-1-ylethyl)amino]-5-(trifluoromethyl)phenyl]benzamide?

The canonical SMILES for 4-chloro-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-N-[4-fluoro-3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]benzamide;N-[3-[3-(dimethylamino)propyl-methylamino]-2-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]-4-methyl-N-[2-methyl-3-[methyl(2-pyrrolidin-1-ylethyl)amino]-5-(trifluoromethyl)phenyl]benzamide is Cc1c(-c2cn(-c3cc(C(=O)Nc4cc(N5CCN(C)CC5)c(F)c(C(F)(F)F)c4)ccc3Cl)nn2)cnn1C.Cc1ccc(C(=O)Nc2cc(C(F)(F)F)cc(N(C)CCCN(C)C)c2C)cc1-n1cc(-c2cnn(C)c2C)nn1.Cc1ccc(C(=O)Nc2cc(C(F)(F)F)cc(N(C)CCN3CCCC3)c2C)cc1-n1cc(-c2cnn(C)c2C)nn1.

What is the InChIKey of 4-chloro-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-N-[4-fluoro-3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]benzamide;N-[3-[3-(dimethylamino)propyl-methylamino]-2-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]-4-methyl-N-[2-methyl-3-[methyl(2-pyrrolidin-1-ylethyl)amino]-5-(trifluoromethyl)phenyl]benzamide?

The InChIKey is SFJXHUTUWSGISM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35F3N8O.C29H35F3N8O.C26H25ClF4N8O/c1-19-8-9-22(14-27(19)41-18-26(36-37-41)24-17-34-39(5)21(24)3)29(42)35-25-15-23(30(31,32)33)16-28(20(25)2)38(4)12-13-40-10-6-7-11-40;1-18-9-10-21(13-26(18)40-17-25(35-36-40)23-16-33-39(7)20(23)3)28(41)34-24-14-22(29(30,31)32)15-27(19(24)2)38(6)12-8-11-37(4)5;1-15-18(13-32-37(15)3)21-14-39(35-34-21)22-10-16(4-5-20(22)27)25(40)33-17-11-19(26(29,30)31)24(28)23(12-17)38-8-6-36(2)7-9-38/h8-9,14-18H,6-7,10-13H2,1-5H3,(H,35,42);9-10,13-17H,8,11-12H2,1-7H3,(H,34,41);4-5,10-14H,6-9H2,1-3H3,(H,33,40).

What are the key properties of 4-chloro-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-N-[4-fluoro-3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]benzamide;N-[3-[3-(dimethylamino)propyl-methylamino]-2-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]-4-methyl-N-[2-methyl-3-[methyl(2-pyrrolidin-1-ylethyl)amino]-5-(trifluoromethyl)phenyl]benzamide?

4-chloro-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-N-[4-fluoro-3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]benzamide;N-[3-[3-(dimethylamino)propyl-methylamino]-2-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]-4-methyl-N-[2-methyl-3-[methyl(2-pyrrolidin-1-ylethyl)amino]-5-(trifluoromethyl)phenyl]benzamide has a molecular weight of 1726.29 g/mol, XLogP of 15.44, 22 rotatable bonds, 3 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 4-chloro-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-N-[4-fluoro-3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]benzamide;N-[3-[3-(dimethylamino)propyl-methylamino]-2-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]-4-methyl-N-[2-methyl-3-[methyl(2-pyrrolidin-1-ylethyl)amino]-5-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 160819861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).