JZN
Summary
| Name: | 1-{[3-(4-{[(2R)-4-(5-fluoro-2-methoxyphenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentyl]amino}-6-methyl-1H-indazol-1-yl)phenyl]carbonyl}-D-prolinamide |
| Formula: | C34 H37 F4 N5 O4 |
| Formal charge: | 0 |
| Formula weight: | 655.682 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 11.02 | 1-{[3-(4-{[(2R)-4-(5-fluoro-2-methoxyphenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentyl]amino}-6-methyl-1H-indazol-1-yl)phenyl]carbonyl}-D-prolinamide |
| OpenEye OEToolkits | 1.6.1 | (2R)-1-[3-[4-[[(2R)-4-(5-fluoro-2-methoxy-phenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentyl]amino]-6-methyl-indazol-1-yl]phenyl]carbonylpyrrolidine-2-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 11.02 | Fc1cc(c(OC)cc1)C(C)(C)CC(O)(C(F)(F)F)CNc2cc(cc3c2cnn3c5cc(C(=O)N4C(C(=O)N)CCC4)ccc5)C |
| SMILES_CANONICAL | CACTVS | 3.352 | COc1ccc(F)cc1C(C)(C)C[C@@](O)(CNc2cc(C)cc3n(ncc23)c4cccc(c4)C(=O)N5CCC[C@@H]5C(N)=O)C(F)(F)F |
| SMILES | CACTVS | 3.352 | COc1ccc(F)cc1C(C)(C)C[C](O)(CNc2cc(C)cc3n(ncc23)c4cccc(c4)C(=O)N5CCC[CH]5C(N)=O)C(F)(F)F |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | Cc1cc(c2cnn(c2c1)c3cccc(c3)C(=O)N4CCC[C@@H]4C(=O)N)NC[C@](CC(C)(C)c5cc(ccc5OC)F)(C(F)(F)F)O |
| SMILES | OpenEye OEToolkits | 1.7.0 | Cc1cc(c2cnn(c2c1)c3cccc(c3)C(=O)N4CCCC4C(=O)N)NCC(CC(C)(C)c5cc(ccc5OC)F)(C(F)(F)F)O |
| InChI | InChI | 1.03 | InChI=1S/C34H37F4N5O4/c1-20-13-26(40-19-33(46,34(36,37)38)18-32(2,3)25-16-22(35)10-11-29(25)47-4)24-17-41-43(28(24)14-20)23-8-5-7-21(15-23)31(45)42-12-6-9-27(42)30(39)44/h5,7-8,10-11,13-17,27,40,46H,6,9,12,18-19H2,1-4H3,(H2,39,44)/t27-,33-/m1/s1 |
| InChIKey | InChI | 1.03 | AKJCJJOQRAGWOW-ZORMNXRFSA-N |
