N-[4-chloro-3-[2-(dimethylamino)ethyl-methylamino]-5-(trifluoromethyl)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;N-[4-chloro-3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;N-[3-[4-(cyclopropylmethyl)piperazin-1-yl]-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-ethylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-4-methylbenzamide;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methyl-N-[3-(4-propylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]benzamide

C141H155Cl2F15N40O5 — CID 162058766

IUPACN-[4-chloro-3-[2-(dimethylamino)ethyl-methylamino]-5-(trifluoromethyl)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;N-[4-chloro-3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;N-[3-[4-(cyclopropylmethyl)piperazin-1-yl]-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-ethylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-4-methylbenzamide;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methyl-N-[3-(4-propylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]benzamide
SMILESCCCN1CCN(c2cc(NC(=O)c3ccc(C)c(-n4cc(-c5cnn(C)c5C)nn4)c3)cc(C(F)(F)F)c2)CC1.CCN1CCN(c2cc(NC(=O)c3ccc(C)c(-n4cc(-c5cnn(C)c5C)nn4)c3)cc(C(F)(F)F)c2)CC1.Cc1ccc(C(=O)Nc2cc(N(C)CCN(C)C)c(Cl)c(C(F)(F)F)c2)cc1-n1cc(-c2cnn(C)c2C)nn1.Cc1ccc(C(=O)Nc2cc(N3CCN(C)CC3)c(Cl)c(C(F)(F)F)c2)cc1-n1cc(-c2cnn(C)c2C)nn1.Cc1ccc(C(=O)Nc2cc(N3CCN(CC4CC4)CC3)cc(C(F)(F)F)c2)cc1-n1cc(-c2cnn(C)c2C)nn1
InChIInChI=1S/C30H33F3N8O.C29H33F3N8O.C28H31F3N8O.C27H28ClF3N8O.C27H30ClF3N8O/c1-19-4-7-22(12-28(19)41-18-27(36-37-41)26-16-34-38(3)20(26)2)29(42)35-24-13-23(30(31,32)33)14-25(15-24)40-10-8-39(9-11-40)17-21-5-6-21;1-5-8-38-9-11-39(12-10-38)24-15-22(29(30,31)32)14-23(16-24)34-28(41)21-7-6-19(2)27(13-21)40-18-26(35-36-40)25-17-33-37(4)20(25)3;1-5-37-8-10-38(11-9-37)23-14-21(28(29,30)31)13-22(15-23)33-27(40)20-7-6-18(2)26(12-20)39-17-25(34-35-39)24-16-32-36(4)19(24)3;1-16-5-6-18(11-23(16)39-15-22(34-35-39)20-14-32-37(4)17(20)2)26(40)33-19-12-21(27(29,30)31)25(28)24(13-19)38-9-7-36(3)8-10-38;1-16-7-8-18(11-23(16)39-15-22(34-35-39)20-14-32-38(6)17(20)2)26(40)33-19-12-21(27(29,30)31)25(28)24(13-19)37(5)10-9-36(3)4/h4,7,12-16,18,21H,5-6,8-11,17H2,1-3H3,(H,35,42);6-7,13-18H,5,8-12H2,1-4H3,(H,34,41);6-7,12-17H,5,8-11H2,1-4H3,(H,33,40);5-6,11-15H,7-10H2,1-4H3,(H,33,40);7-8,11-15H,9-10H2,1-6H3,(H,33,40)
InChIKeyYZNRGZSVFMBOTD-UHFFFAOYSA-N
MW2845.94 g/mol
LogP25.04
Rot. Bonds33

About N-[4-chloro-3-[2-(dimethylamino)ethyl-methylamino]-5-(trifluoromethyl)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;N-[4-chloro-3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;N-[3-[4-(cyclopropylmethyl)piperazin-1-yl]-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-ethylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-4-methylbenzamide;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methyl-N-[3-(4-propylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]benzamide

N-[4-chloro-3-[2-(dimethylamino)ethyl-methylamino]-5-(trifluoromethyl)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;N-[4-chloro-3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;N-[3-[4-(cyclopropylmethyl)piperazin-1-yl]-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-ethylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-4-methylbenzamide;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methyl-N-[3-(4-propylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]benzamide (PubChem CID 162058766) has the molecular formula C141H155Cl2F15N40O5 and a molecular weight of 2845.94 g/mol. Its IUPAC name is N-[4-chloro-3-[2-(dimethylamino)ethyl-methylamino]-5-(trifluoromethyl)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;N-[4-chloro-3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;N-[3-[4-(cyclopropylmethyl)piperazin-1-yl]-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-ethylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-4-methylbenzamide;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methyl-N-[3-(4-propylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound NameN-[4-chloro-3-[2-(dimethylamino)ethyl-methylamino]-5-(trifluoromethyl)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;N-[4-chloro-3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;N-[3-[4-(cyclopropylmethyl)piperazin-1-yl]-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-ethylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-4-methylbenzamide;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methyl-N-[3-(4-propylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]benzamide
PubChem CID162058766
Molecular FormulaC141H155Cl2F15N40O5
Molecular Weight2845.94 g/mol
Exact Mass2843.22
IUPAC NameN-[4-chloro-3-[2-(dimethylamino)ethyl-methylamino]-5-(trifluoromethyl)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;N-[4-chloro-3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;N-[3-[4-(cyclopropylmethyl)piperazin-1-yl]-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-ethylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-4-methylbenzamide;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methyl-N-[3-(4-propylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]benzamide
SMILESCCCN1CCN(c2cc(NC(=O)c3ccc(C)c(-n4cc(-c5cnn(C)c5C)nn4)c3)cc(C(F)(F)F)c2)CC1.CCN1CCN(c2cc(NC(=O)c3ccc(C)c(-n4cc(-c5cnn(C)c5C)nn4)c3)cc(C(F)(F)F)c2)CC1.Cc1ccc(C(=O)Nc2cc(N(C)CCN(C)C)c(Cl)c(C(F)(F)F)c2)cc1-n1cc(-c2cnn(C)c2C)nn1.Cc1ccc(C(=O)Nc2cc(N3CCN(C)CC3)c(Cl)c(C(F)(F)F)c2)cc1-n1cc(-c2cnn(C)c2C)nn1.Cc1ccc(C(=O)Nc2cc(N3CCN(CC4CC4)CC3)cc(C(F)(F)F)c2)cc1-n1cc(-c2cnn(C)c2C)nn1
InChIInChI=1S/C30H33F3N8O.C29H33F3N8O.C28H31F3N8O.C27H28ClF3N8O.C27H30ClF3N8O/c1-19-4-7-22(12-28(19)41-18-27(36-37-41)26-16-34-38(3)20(26)2)29(42)35-24-13-23(30(31,32)33)14-25(15-24)40-10-8-39(9-11-40)17-21-5-6-21;1-5-8-38-9-11-39(12-10-38)24-15-22(29(30,31)32)14-23(16-24)34-28(41)21-7-6-19(2)27(13-21)40-18-26(35-36-40)25-17-33-37(4)20(25)3;1-5-37-8-10-38(11-9-37)23-14-21(28(29,30)31)13-22(15-23)33-27(40)20-7-6-18(2)26(12-20)39-17-25(34-35-39)24-16-32-36(4)19(24)3;1-16-5-6-18(11-23(16)39-15-22(34-35-39)20-14-32-37(4)17(20)2)26(40)33-19-12-21(27(29,30)31)25(28)24(13-19)38-9-7-36(3)8-10-38;1-16-7-8-18(11-23(16)39-15-22(34-35-39)20-14-32-38(6)17(20)2)26(40)33-19-12-21(27(29,30)31)25(28)24(13-19)37(5)10-9-36(3)4/h4,7,12-16,18,21H,5-6,8-11,17H2,1-3H3,(H,35,42);6-7,13-18H,5,8-12H2,1-4H3,(H,34,41);6-7,12-17H,5,8-11H2,1-4H3,(H,33,40);5-6,11-15H,7-10H2,1-4H3,(H,33,40);7-8,11-15H,9-10H2,1-6H3,(H,33,40)
InChIKeyYZNRGZSVFMBOTD-UHFFFAOYSA-N
XLogP25.04
TPSA420.55 Ų
H-Bond Donors5
H-Bond Acceptors40
Rotatable Bonds33
Heavy Atoms203
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002845.94
LogP ≤ 525.04
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1040

Analyze N-[4-chloro-3-[2-(dimethylamino)ethyl-methylamino]-5-(trifluoromethyl)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;N-[4-chloro-3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;N-[3-[4-(cyclopropylmethyl)piperazin-1-yl]-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-ethylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-4-methylbenzamide;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methyl-N-[3-(4-propylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]benzamide with MolForge

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Related Compounds

N-[3-[4-(dimethylamino)piperidin-1-yl]-5-(trifluoromethyl)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide
CID 58366897
3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-N-[3-(3-hydroxypyrrolidin-1-yl)-5-(trifluoromethyl)phenyl]-4-methylbenzamide
CID 58366898
3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methyl-N-[3-[methyl(2-pyrrolidin-1-ylethyl)amino]-5-(trifluoromethyl)phenyl]benzamide
CID 58366825
3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-N-[4-fluoro-3-(4-methyl-1,4-diazepan-1-yl)-5-(trifluoromethyl)phenyl]-4-methylbenzamide
CID 58366438
N-[3-(2-cyclopentylethyl)-5-(trifluoromethyl)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide
CID 58366325
3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-N-[3-[(3-hydroxypyrrolidin-1-yl)methyl]-5-(trifluoromethyl)phenyl]-4-methylbenzamide
CID 25169561
1-[4-chloro-3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-2-[3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylphenyl]ethanone
CID 58366566
N-[4-(butylaminomethyl)-3-(trifluoromethyl)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide
CID 58366646
N-[4-[2-(dimethylamino)ethyl-methylamino]-3-(trifluoromethyl)phenyl]-3-[4-(3-ethyl-5-morpholin-4-ylphenyl)triazol-1-yl]-4-methylbenzamide
CID 162600446
3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-N-[4-methoxy-3-(pyrrolidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]-4-methylbenzamide
CID 58366431
3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methyl-N-[4-[(propan-2-ylamino)methyl]-3-(trifluoromethyl)phenyl]benzamide
CID 58366570
N-[4-[2-(dimethylamino)ethyl-methylamino]-3-(trifluoromethyl)phenyl]-4-methyl-3-[4-(3-morpholin-4-ylphenyl)triazol-1-yl]benzamide
CID 58367062

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-[2-(dimethylamino)ethyl-methylamino]-5-(trifluoromethyl)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;N-[4-chloro-3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;N-[3-[4-(cyclopropylmethyl)piperazin-1-yl]-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-ethylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-4-methylbenzamide;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methyl-N-[3-(4-propylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of N-[4-chloro-3-[2-(dimethylamino)ethyl-methylamino]-5-(trifluoromethyl)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;N-[4-chloro-3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;N-[3-[4-(cyclopropylmethyl)piperazin-1-yl]-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-ethylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-4-methylbenzamide;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methyl-N-[3-(4-propylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]benzamide (CID 162058766) is N-[4-chloro-3-[2-(dimethylamino)ethyl-methylamino]-5-(trifluoromethyl)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;N-[4-chloro-3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;N-[3-[4-(cyclopropylmethyl)piperazin-1-yl]-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-ethylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-4-methylbenzamide;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methyl-N-[3-(4-propylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for N-[4-chloro-3-[2-(dimethylamino)ethyl-methylamino]-5-(trifluoromethyl)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;N-[4-chloro-3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;N-[3-[4-(cyclopropylmethyl)piperazin-1-yl]-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-ethylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-4-methylbenzamide;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methyl-N-[3-(4-propylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for N-[4-chloro-3-[2-(dimethylamino)ethyl-methylamino]-5-(trifluoromethyl)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;N-[4-chloro-3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;N-[3-[4-(cyclopropylmethyl)piperazin-1-yl]-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-ethylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-4-methylbenzamide;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methyl-N-[3-(4-propylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]benzamide is CCCN1CCN(c2cc(NC(=O)c3ccc(C)c(-n4cc(-c5cnn(C)c5C)nn4)c3)cc(C(F)(F)F)c2)CC1.CCN1CCN(c2cc(NC(=O)c3ccc(C)c(-n4cc(-c5cnn(C)c5C)nn4)c3)cc(C(F)(F)F)c2)CC1.Cc1ccc(C(=O)Nc2cc(N(C)CCN(C)C)c(Cl)c(C(F)(F)F)c2)cc1-n1cc(-c2cnn(C)c2C)nn1.Cc1ccc(C(=O)Nc2cc(N3CCN(C)CC3)c(Cl)c(C(F)(F)F)c2)cc1-n1cc(-c2cnn(C)c2C)nn1.Cc1ccc(C(=O)Nc2cc(N3CCN(CC4CC4)CC3)cc(C(F)(F)F)c2)cc1-n1cc(-c2cnn(C)c2C)nn1.
What is the InChIKey of N-[4-chloro-3-[2-(dimethylamino)ethyl-methylamino]-5-(trifluoromethyl)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;N-[4-chloro-3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;N-[3-[4-(cyclopropylmethyl)piperazin-1-yl]-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-ethylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-4-methylbenzamide;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methyl-N-[3-(4-propylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]benzamide?
The InChIKey is YZNRGZSVFMBOTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33F3N8O.C29H33F3N8O.C28H31F3N8O.C27H28ClF3N8O.C27H30ClF3N8O/c1-19-4-7-22(12-28(19)41-18-27(36-37-41)26-16-34-38(3)20(26)2)29(42)35-24-13-23(30(31,32)33)14-25(15-24)40-10-8-39(9-11-40)17-21-5-6-21;1-5-8-38-9-11-39(12-10-38)24-15-22(29(30,31)32)14-23(16-24)34-28(41)21-7-6-19(2)27(13-21)40-18-26(35-36-40)25-17-33-37(4)20(25)3;1-5-37-8-10-38(11-9-37)23-14-21(28(29,30)31)13-22(15-23)33-27(40)20-7-6-18(2)26(12-20)39-17-25(34-35-39)24-16-32-36(4)19(24)3;1-16-5-6-18(11-23(16)39-15-22(34-35-39)20-14-32-37(4)17(20)2)26(40)33-19-12-21(27(29,30)31)25(28)24(13-19)38-9-7-36(3)8-10-38;1-16-7-8-18(11-23(16)39-15-22(34-35-39)20-14-32-38(6)17(20)2)26(40)33-19-12-21(27(29,30)31)25(28)24(13-19)37(5)10-9-36(3)4/h4,7,12-16,18,21H,5-6,8-11,17H2,1-3H3,(H,35,42);6-7,13-18H,5,8-12H2,1-4H3,(H,34,41);6-7,12-17H,5,8-11H2,1-4H3,(H,33,40);5-6,11-15H,7-10H2,1-4H3,(H,33,40);7-8,11-15H,9-10H2,1-6H3,(H,33,40).
What are the key properties of N-[4-chloro-3-[2-(dimethylamino)ethyl-methylamino]-5-(trifluoromethyl)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;N-[4-chloro-3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;N-[3-[4-(cyclopropylmethyl)piperazin-1-yl]-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-ethylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-4-methylbenzamide;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methyl-N-[3-(4-propylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]benzamide?
N-[4-chloro-3-[2-(dimethylamino)ethyl-methylamino]-5-(trifluoromethyl)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;N-[4-chloro-3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;N-[3-[4-(cyclopropylmethyl)piperazin-1-yl]-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-ethylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-4-methylbenzamide;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methyl-N-[3-(4-propylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]benzamide has a molecular weight of 2845.94 g/mol, XLogP of 25.04, 33 rotatable bonds, 5 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-[2-(dimethylamino)ethyl-methylamino]-5-(trifluoromethyl)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;N-[4-chloro-3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;N-[3-[4-(cyclopropylmethyl)piperazin-1-yl]-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-ethylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-4-methylbenzamide;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methyl-N-[3-(4-propylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 162058766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).