9NQ
Summary
| Name: | Leniolisib |
| Formula: | C21 H25 F3 N6 O2 |
| Formal charge: | 0 |
| Formula weight: | 450.457 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | 1-[(3~{S})-3-[[6-[6-methoxy-5-(trifluoromethyl)pyridin-3-yl]-7,8-dihydro-5~{H}-pyrido[4,3-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]propan-1-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C21H25F3N6O2/c1-3-18(31)30-6-4-13(10-30)28-19-15-11-29(7-5-17(15)26-12-27-19)14-8-16(21(22,23)24)20(32-2)25-9-14/h8-9,12-13H,3-7,10-11H2,1-2H3,(H,26,27,28)/t13-/m0/s1 |
| InChIKey | InChI | 1.03 | MWKYMZXCGYXLPL-ZDUSSCGKSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCC(=O)N1CC[C@@H](C1)Nc2ncnc3CCN(Cc23)c4cnc(OC)c(c4)C(F)(F)F |
| SMILES | CACTVS | 3.385 | CCC(=O)N1CC[CH](C1)Nc2ncnc3CCN(Cc23)c4cnc(OC)c(c4)C(F)(F)F |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CCC(=O)N1CC[C@@H](C1)Nc2c3c(ncn2)CCN(C3)c4cc(c(nc4)OC)C(F)(F)F |
| SMILES | OpenEye OEToolkits | 2.0.6 | CCC(=O)N1CCC(C1)Nc2c3c(ncn2)CCN(C3)c4cc(c(nc4)OC)C(F)(F)F |
