N-[3-(4-butan-2-ylpiperazin-1-yl)-4-fluoro-5-(trifluoromethyl)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;N-[3-(4-cyclopropylpiperazin-1-yl)-4-fluoro-5-(trifluoromethyl)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;N-[3-[3-(dimethylamino)pyrrolidin-1-yl]-4-fluoro-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-[4-fluoro-3-[(1-methylpiperidin-4-yl)amino]-5-(trifluoromethyl)phenyl]-4-methylbenzamide;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-N-[4-fluoro-3-(4-propan-2-ylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-4-methylbenzamide

C144H156F20N40O5 — CID 159875595

About N-[3-(4-butan-2-ylpiperazin-1-yl)-4-fluoro-5-(trifluoromethyl)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;N-[3-(4-cyclopropylpiperazin-1-yl)-4-fluoro-5-(trifluoromethyl)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;N-[3-[3-(dimethylamino)pyrrolidin-1-yl]-4-fluoro-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-[4-fluoro-3-[(1-methylpiperidin-4-yl)amino]-5-(trifluoromethyl)phenyl]-4-methylbenzamide;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-N-[4-fluoro-3-(4-propan-2-ylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-4-methylbenzamide

N-[3-(4-butan-2-ylpiperazin-1-yl)-4-fluoro-5-(trifluoromethyl)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;N-[3-(4-cyclopropylpiperazin-1-yl)-4-fluoro-5-(trifluoromethyl)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;N-[3-[3-(dimethylamino)pyrrolidin-1-yl]-4-fluoro-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-[4-fluoro-3-[(1-methylpiperidin-4-yl)amino]-5-(trifluoromethyl)phenyl]-4-methylbenzamide;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-N-[4-fluoro-3-(4-propan-2-ylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-4-methylbenzamide (PubChem CID 159875595) has the molecular formula C144H156F20N40O5 and a molecular weight of 2907.07 g/mol. Its IUPAC name is N-[3-(4-butan-2-ylpiperazin-1-yl)-4-fluoro-5-(trifluoromethyl)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;N-[3-(4-cyclopropylpiperazin-1-yl)-4-fluoro-5-(trifluoromethyl)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;N-[3-[3-(dimethylamino)pyrrolidin-1-yl]-4-fluoro-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-[4-fluoro-3-[(1-methylpiperidin-4-yl)amino]-5-(trifluoromethyl)phenyl]-4-methylbenzamide;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-N-[4-fluoro-3-(4-propan-2-ylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-4-methylbenzamide.

Molecular Properties

• Compound Name: N-[3-(4-butan-2-ylpiperazin-1-yl)-4-fluoro-5-(trifluoromethyl)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;N-[3-(4-cyclopropylpiperazin-1-yl)-4-fluoro-5-(trifluoromethyl)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;N-[3-[3-(dimethylamino)pyrrolidin-1-yl]-4-fluoro-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-[4-fluoro-3-[(1-methylpiperidin-4-yl)amino]-5-(trifluoromethyl)phenyl]-4-methylbenzamide;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-N-[4-fluoro-3-(4-propan-2-ylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-4-methylbenzamide
• PubChem CID: 159875595
• Molecular Formula: C144H156F20N40O5
• Molecular Weight: 2907.07 g/mol
• Exact Mass: 2905.29
• IUPAC Name: N-[3-(4-butan-2-ylpiperazin-1-yl)-4-fluoro-5-(trifluoromethyl)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;N-[3-(4-cyclopropylpiperazin-1-yl)-4-fluoro-5-(trifluoromethyl)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;N-[3-[3-(dimethylamino)pyrrolidin-1-yl]-4-fluoro-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-[4-fluoro-3-[(1-methylpiperidin-4-yl)amino]-5-(trifluoromethyl)phenyl]-4-methylbenzamide;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-N-[4-fluoro-3-(4-propan-2-ylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-4-methylbenzamide
• SMILES: CCC(C)N1CCN(c2cc(NC(=O)c3ccc(C)c(-n4cc(-c5cnn(C)c5C)nn4)c3)cc(C(F)(F)F)c2F)CC1.Cc1ccc(C(=O)Nc2cc(N3CCC(N(C)C)C3)c(F)c(C(F)(F)F)c2)cc1-n1cc(-c2cnn(C)c2C)nn1.Cc1ccc(C(=O)Nc2cc(N3CCN(C(C)C)CC3)c(F)c(C(F)(F)F)c2)cc1-n1cc(-c2cnn(C)c2C)nn1.Cc1ccc(C(=O)Nc2cc(N3CCN(C4CC4)CC3)c(F)c(C(F)(F)F)c2)cc1-n1cc(-c2cnn(C)c2C)nn1.Cc1ccc(C(=O)Nc2cc(NC3CCN(C)CC3)c(F)c(C(F)(F)F)c2)cc1-n1cc(-c2cnn(C)c2C)nn1
• InChI: InChI=1S/C30H34F4N8O.C29H30F4N8O.C29H32F4N8O.2C28H30F4N8O/c1-6-19(3)40-9-11-41(12-10-40)27-15-22(14-24(28(27)31)30(32,33)34)36-29(43)21-8-7-18(2)26(13-21)42-17-25(37-38-42)23-16-35-39(5)20(23)4;1-17-4-5-19(12-25(17)41-16-24(36-37-41)22-15-34-38(3)18(22)2)28(42)35-20-13-23(29(31,32)33)27(30)26(14-20)40-10-8-39(9-11-40)21-6-7-21;1-17(2)39-8-10-40(11-9-39)26-14-21(13-23(27(26)30)29(31,32)33)35-28(42)20-7-6-18(3)25(12-20)41-16-24(36-37-41)22-15-34-38(5)19(22)4;1-16-6-7-18(10-24(16)40-15-23(35-36-40)21-13-33-38(5)17(21)2)27(41)34-19-11-22(28(30,31)32)26(29)25(12-19)39-9-8-20(14-39)37(3)4;1-16-5-6-18(11-25(16)40-15-24(36-37-40)21-14-33-39(4)17(21)2)27(41)35-20-12-22(28(30,31)32)26(29)23(13-20)34-19-7-9-38(3)10-8-19/h7-8,13-17,19H,6,9-12H2,1-5H3,(H,36,43);4-5,12-16,21H,6-11H2,1-3H3,(H,35,42);6-7,12-17H,8-11H2,1-5H3,(H,35,42);6-7,10-13,15,20H,8-9,14H2,1-5H3,(H,34,41);5-6,11-15,19,34H,7-10H2,1-4H3,(H,35,41)
• InChIKey: NSWCSEBCHGJHDU-UHFFFAOYSA-N
• XLogP: 25.86
• TPSA: 429.34 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 40
• Rotatable Bonds: 31
• Heavy Atoms: 209
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2907.07
LogP ≤ 5	25.86
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	40

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-butan-2-ylpiperazin-1-yl)-4-fluoro-5-(trifluoromethyl)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;N-[3-(4-cyclopropylpiperazin-1-yl)-4-fluoro-5-(trifluoromethyl)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;N-[3-[3-(dimethylamino)pyrrolidin-1-yl]-4-fluoro-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-[4-fluoro-3-[(1-methylpiperidin-4-yl)amino]-5-(trifluoromethyl)phenyl]-4-methylbenzamide;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-N-[4-fluoro-3-(4-propan-2-ylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-4-methylbenzamide?

The IUPAC name of N-[3-(4-butan-2-ylpiperazin-1-yl)-4-fluoro-5-(trifluoromethyl)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;N-[3-(4-cyclopropylpiperazin-1-yl)-4-fluoro-5-(trifluoromethyl)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;N-[3-[3-(dimethylamino)pyrrolidin-1-yl]-4-fluoro-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-[4-fluoro-3-[(1-methylpiperidin-4-yl)amino]-5-(trifluoromethyl)phenyl]-4-methylbenzamide;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-N-[4-fluoro-3-(4-propan-2-ylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-4-methylbenzamide (CID 159875595) is N-[3-(4-butan-2-ylpiperazin-1-yl)-4-fluoro-5-(trifluoromethyl)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;N-[3-(4-cyclopropylpiperazin-1-yl)-4-fluoro-5-(trifluoromethyl)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;N-[3-[3-(dimethylamino)pyrrolidin-1-yl]-4-fluoro-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-[4-fluoro-3-[(1-methylpiperidin-4-yl)amino]-5-(trifluoromethyl)phenyl]-4-methylbenzamide;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-N-[4-fluoro-3-(4-propan-2-ylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-4-methylbenzamide.

What is the SMILES notation for N-[3-(4-butan-2-ylpiperazin-1-yl)-4-fluoro-5-(trifluoromethyl)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;N-[3-(4-cyclopropylpiperazin-1-yl)-4-fluoro-5-(trifluoromethyl)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;N-[3-[3-(dimethylamino)pyrrolidin-1-yl]-4-fluoro-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-[4-fluoro-3-[(1-methylpiperidin-4-yl)amino]-5-(trifluoromethyl)phenyl]-4-methylbenzamide;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-N-[4-fluoro-3-(4-propan-2-ylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-4-methylbenzamide?

The canonical SMILES for N-[3-(4-butan-2-ylpiperazin-1-yl)-4-fluoro-5-(trifluoromethyl)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;N-[3-(4-cyclopropylpiperazin-1-yl)-4-fluoro-5-(trifluoromethyl)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;N-[3-[3-(dimethylamino)pyrrolidin-1-yl]-4-fluoro-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-[4-fluoro-3-[(1-methylpiperidin-4-yl)amino]-5-(trifluoromethyl)phenyl]-4-methylbenzamide;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-N-[4-fluoro-3-(4-propan-2-ylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-4-methylbenzamide is CCC(C)N1CCN(c2cc(NC(=O)c3ccc(C)c(-n4cc(-c5cnn(C)c5C)nn4)c3)cc(C(F)(F)F)c2F)CC1.Cc1ccc(C(=O)Nc2cc(N3CCC(N(C)C)C3)c(F)c(C(F)(F)F)c2)cc1-n1cc(-c2cnn(C)c2C)nn1.Cc1ccc(C(=O)Nc2cc(N3CCN(C(C)C)CC3)c(F)c(C(F)(F)F)c2)cc1-n1cc(-c2cnn(C)c2C)nn1.Cc1ccc(C(=O)Nc2cc(N3CCN(C4CC4)CC3)c(F)c(C(F)(F)F)c2)cc1-n1cc(-c2cnn(C)c2C)nn1.Cc1ccc(C(=O)Nc2cc(NC3CCN(C)CC3)c(F)c(C(F)(F)F)c2)cc1-n1cc(-c2cnn(C)c2C)nn1.

What is the InChIKey of N-[3-(4-butan-2-ylpiperazin-1-yl)-4-fluoro-5-(trifluoromethyl)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;N-[3-(4-cyclopropylpiperazin-1-yl)-4-fluoro-5-(trifluoromethyl)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;N-[3-[3-(dimethylamino)pyrrolidin-1-yl]-4-fluoro-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-[4-fluoro-3-[(1-methylpiperidin-4-yl)amino]-5-(trifluoromethyl)phenyl]-4-methylbenzamide;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-N-[4-fluoro-3-(4-propan-2-ylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-4-methylbenzamide?

The InChIKey is NSWCSEBCHGJHDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34F4N8O.C29H30F4N8O.C29H32F4N8O.2C28H30F4N8O/c1-6-19(3)40-9-11-41(12-10-40)27-15-22(14-24(28(27)31)30(32,33)34)36-29(43)21-8-7-18(2)26(13-21)42-17-25(37-38-42)23-16-35-39(5)20(23)4;1-17-4-5-19(12-25(17)41-16-24(36-37-41)22-15-34-38(3)18(22)2)28(42)35-20-13-23(29(31,32)33)27(30)26(14-20)40-10-8-39(9-11-40)21-6-7-21;1-17(2)39-8-10-40(11-9-39)26-14-21(13-23(27(26)30)29(31,32)33)35-28(42)20-7-6-18(3)25(12-20)41-16-24(36-37-41)22-15-34-38(5)19(22)4;1-16-6-7-18(10-24(16)40-15-23(35-36-40)21-13-33-38(5)17(21)2)27(41)34-19-11-22(28(30,31)32)26(29)25(12-19)39-9-8-20(14-39)37(3)4;1-16-5-6-18(11-25(16)40-15-24(36-37-40)21-14-33-39(4)17(21)2)27(41)35-20-12-22(28(30,31)32)26(29)23(13-20)34-19-7-9-38(3)10-8-19/h7-8,13-17,19H,6,9-12H2,1-5H3,(H,36,43);4-5,12-16,21H,6-11H2,1-3H3,(H,35,42);6-7,12-17H,8-11H2,1-5H3,(H,35,42);6-7,10-13,15,20H,8-9,14H2,1-5H3,(H,34,41);5-6,11-15,19,34H,7-10H2,1-4H3,(H,35,41).

What are the key properties of N-[3-(4-butan-2-ylpiperazin-1-yl)-4-fluoro-5-(trifluoromethyl)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;N-[3-(4-cyclopropylpiperazin-1-yl)-4-fluoro-5-(trifluoromethyl)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;N-[3-[3-(dimethylamino)pyrrolidin-1-yl]-4-fluoro-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-[4-fluoro-3-[(1-methylpiperidin-4-yl)amino]-5-(trifluoromethyl)phenyl]-4-methylbenzamide;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-N-[4-fluoro-3-(4-propan-2-ylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-4-methylbenzamide?

N-[3-(4-butan-2-ylpiperazin-1-yl)-4-fluoro-5-(trifluoromethyl)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;N-[3-(4-cyclopropylpiperazin-1-yl)-4-fluoro-5-(trifluoromethyl)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;N-[3-[3-(dimethylamino)pyrrolidin-1-yl]-4-fluoro-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-[4-fluoro-3-[(1-methylpiperidin-4-yl)amino]-5-(trifluoromethyl)phenyl]-4-methylbenzamide;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-N-[4-fluoro-3-(4-propan-2-ylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-4-methylbenzamide has a molecular weight of 2907.07 g/mol, XLogP of 25.86, 31 rotatable bonds, 6 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(4-butan-2-ylpiperazin-1-yl)-4-fluoro-5-(trifluoromethyl)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;N-[3-(4-cyclopropylpiperazin-1-yl)-4-fluoro-5-(trifluoromethyl)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;N-[3-[3-(dimethylamino)pyrrolidin-1-yl]-4-fluoro-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-[4-fluoro-3-[(1-methylpiperidin-4-yl)amino]-5-(trifluoromethyl)phenyl]-4-methylbenzamide;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-N-[4-fluoro-3-(4-propan-2-ylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-4-methylbenzamide is sourced from PubChem (CID 159875595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).