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;3-(4-imidazo[1,2-a]pyrazin-3-yltriazol-1-yl)-4-methyl-N-[3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]benzamide;3-(4-imidazo[1,2-a]pyridin-3-yltriazol-1-yl)-4-methyl-N-[3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]benzamide

C142H148ClF16N41O5 — CID 159862374

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;3-(4-imidazo[1,2-a]pyrazin-3-yltriazol-1-yl)-4-methyl-N-[3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]benzamide;3-(4-imidazo[1,2-a]pyridin-3-yltriazol-1-yl)-4-methyl-N-[3-(4-methylpiperazin-1-yl)-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;3-(4-imidazo[1,2-a]pyrazin-3-yltriazol-1-yl)-4-methyl-N-[3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]benzamide;3-(4-imidazo[1,2-a]pyridin-3-yltriazol-1-yl)-4-methyl-N-[3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]benzamide (PubChem CID 159862374) has the molecular formula C142H148ClF16N41O5 and a molecular weight of 2848.45 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;3-(4-imidazo[1,2-a]pyrazin-3-yltriazol-1-yl)-4-methyl-N-[3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]benzamide;3-(4-imidazo[1,2-a]pyridin-3-yltriazol-1-yl)-4-methyl-N-[3-(4-methylpiperazin-1-yl)-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;3-(4-imidazo[1,2-a]pyrazin-3-yltriazol-1-yl)-4-methyl-N-[3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]benzamide;3-(4-imidazo[1,2-a]pyridin-3-yltriazol-1-yl)-4-methyl-N-[3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]benzamide
• PubChem CID: 159862374
• Molecular Formula: C142H148ClF16N41O5
• Molecular Weight: 2848.45 g/mol
• Exact Mass: 2846.20
• 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;3-(4-imidazo[1,2-a]pyrazin-3-yltriazol-1-yl)-4-methyl-N-[3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]benzamide;3-(4-imidazo[1,2-a]pyridin-3-yltriazol-1-yl)-4-methyl-N-[3-(4-methylpiperazin-1-yl)-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.Cc1ccc(C(=O)Nc2cc(N3CCN(C)CC3)cc(C(F)(F)F)c2)cc1-n1cc(-c2cnc3ccccn23)nn1.Cc1ccc(C(=O)Nc2cc(N3CCN(C)CC3)cc(C(F)(F)F)c2)cc1-n1cc(-c2cnc3cnccn23)nn1
• InChI: InChI=1S/C30H35F3N8O.C29H27F3N8O.C29H35F3N8O.C28H26F3N9O.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;1-19-6-7-20(13-25(19)40-18-24(35-36-40)26-17-33-27-5-3-4-8-39(26)27)28(41)34-22-14-21(29(30,31)32)15-23(16-22)38-11-9-37(2)10-12-38;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;1-18-3-4-19(11-24(18)40-17-23(35-36-40)25-15-33-26-16-32-5-6-39(25)26)27(41)34-21-12-20(28(29,30)31)13-22(14-21)38-9-7-37(2)8-10-38;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);3-8,13-18H,9-12H2,1-2H3,(H,34,41);9-10,13-17H,8,11-12H2,1-7H3,(H,34,41);3-6,11-17H,7-10H2,1-2H3,(H,34,41);4-5,10-14H,6-9H2,1-3H3,(H,33,40)
• InChIKey: NRHRPEGWWRTJLG-UHFFFAOYSA-N
• XLogP: 24.66
• TPSA: 432.40 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 41
• Rotatable Bonds: 32
• Heavy Atoms: 205
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2848.45
LogP ≤ 5	24.66
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	41

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;3-(4-imidazo[1,2-a]pyrazin-3-yltriazol-1-yl)-4-methyl-N-[3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]benzamide;3-(4-imidazo[1,2-a]pyridin-3-yltriazol-1-yl)-4-methyl-N-[3-(4-methylpiperazin-1-yl)-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;3-(4-imidazo[1,2-a]pyrazin-3-yltriazol-1-yl)-4-methyl-N-[3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]benzamide;3-(4-imidazo[1,2-a]pyridin-3-yltriazol-1-yl)-4-methyl-N-[3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]benzamide (CID 159862374) 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;3-(4-imidazo[1,2-a]pyrazin-3-yltriazol-1-yl)-4-methyl-N-[3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]benzamide;3-(4-imidazo[1,2-a]pyridin-3-yltriazol-1-yl)-4-methyl-N-[3-(4-methylpiperazin-1-yl)-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;3-(4-imidazo[1,2-a]pyrazin-3-yltriazol-1-yl)-4-methyl-N-[3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]benzamide;3-(4-imidazo[1,2-a]pyridin-3-yltriazol-1-yl)-4-methyl-N-[3-(4-methylpiperazin-1-yl)-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;3-(4-imidazo[1,2-a]pyrazin-3-yltriazol-1-yl)-4-methyl-N-[3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]benzamide;3-(4-imidazo[1,2-a]pyridin-3-yltriazol-1-yl)-4-methyl-N-[3-(4-methylpiperazin-1-yl)-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.Cc1ccc(C(=O)Nc2cc(N3CCN(C)CC3)cc(C(F)(F)F)c2)cc1-n1cc(-c2cnc3ccccn23)nn1.Cc1ccc(C(=O)Nc2cc(N3CCN(C)CC3)cc(C(F)(F)F)c2)cc1-n1cc(-c2cnc3cnccn23)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;3-(4-imidazo[1,2-a]pyrazin-3-yltriazol-1-yl)-4-methyl-N-[3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]benzamide;3-(4-imidazo[1,2-a]pyridin-3-yltriazol-1-yl)-4-methyl-N-[3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]benzamide?

The InChIKey is NRHRPEGWWRTJLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35F3N8O.C29H27F3N8O.C29H35F3N8O.C28H26F3N9O.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;1-19-6-7-20(13-25(19)40-18-24(35-36-40)26-17-33-27-5-3-4-8-39(26)27)28(41)34-22-14-21(29(30,31)32)15-23(16-22)38-11-9-37(2)10-12-38;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;1-18-3-4-19(11-24(18)40-17-23(35-36-40)25-15-33-26-16-32-5-6-39(25)26)27(41)34-21-12-20(28(29,30)31)13-22(14-21)38-9-7-37(2)8-10-38;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);3-8,13-18H,9-12H2,1-2H3,(H,34,41);9-10,13-17H,8,11-12H2,1-7H3,(H,34,41);3-6,11-17H,7-10H2,1-2H3,(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;3-(4-imidazo[1,2-a]pyrazin-3-yltriazol-1-yl)-4-methyl-N-[3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]benzamide;3-(4-imidazo[1,2-a]pyridin-3-yltriazol-1-yl)-4-methyl-N-[3-(4-methylpiperazin-1-yl)-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;3-(4-imidazo[1,2-a]pyrazin-3-yltriazol-1-yl)-4-methyl-N-[3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]benzamide;3-(4-imidazo[1,2-a]pyridin-3-yltriazol-1-yl)-4-methyl-N-[3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]benzamide has a molecular weight of 2848.45 g/mol, XLogP of 24.66, 32 rotatable bonds, 5 hydrogen bond donors, and 41 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;3-(4-imidazo[1,2-a]pyrazin-3-yltriazol-1-yl)-4-methyl-N-[3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]benzamide;3-(4-imidazo[1,2-a]pyridin-3-yltriazol-1-yl)-4-methyl-N-[3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 159862374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).