939
1-METHYL-5-(2-{[5-(4-METHYLPIPERAZIN-1-YL)-2-(TRIFLUOROMETHOXY)PHENYL]AMINO}PYRIMIDIN-4-YL)-1H-PYRROLE-3-CARBOXAMIDE
Find entries where: 939
is present as a standalone ligand in 1 entries
Chemical Component Summary | |
|---|---|
| Name | 1-METHYL-5-(2-{[5-(4-METHYLPIPERAZIN-1-YL)-2-(TRIFLUOROMETHOXY)PHENYL]AMINO}PYRIMIDIN-4-YL)-1H-PYRROLE-3-CARBOXAMIDE |
| Identifiers | 1-methyl-5-[2-[[5-(4-methylpiperazin-1-yl)-2-(trifluoromethyloxy)phenyl]amino]pyrimidin-4-yl]pyrrole-3-carboxamide |
| Formula | C22 H24 F3 N7 O2 |
| Molecular Weight | 475.467 |
| Type | NON-POLYMER |
| Isomeric SMILES | Cn1cc(cc1c2ccnc(n2)Nc3cc(ccc3OC(F)(F)F)N4CCN(CC4)C)C(=O)N |
| InChI | InChI=1S/C22H24F3N7O2/c1-30-7-9-32(10-8-30)15-3-4-19(34-22(23,24)25)17(12-15)29-21-27-6-5-16(28-21)18-11-14(20(26)33)13-31(18)2/h3-6,11-13H,7-10H2,1-2H3,(H2,26,33)(H,27,28,29) |
| InChIKey | HGBZKLOZYQAERY-UHFFFAOYSA-N |
Chemical Details | |
|---|---|
| Formal Charge | 0 |
| Atom Count | 58 |
| Chiral Atom Count | 0 |
| Bond Count | 61 |
| Aromatic Bond Count | 17 |
Related Resource References
| Resource Name | Reference |
|---|---|
| Pharos | CHEMBL1933576 |
| PubChem | 54759168 |
| ChEMBL | CHEMBL1933576 |
