QNH
Summary
| Name: | 6-[(6~{S},8~{R})-8-methyl-7-[2,2,2-tris(fluoranyl)ethyl]-3,6,8,9-tetrahydropyrazolo[4,3-f]isoquinolin-6-yl]-~{N}-(1-propylazetidin-3-yl)pyridin-3-amine |
| Formula: | C24 H29 F3 N6 |
| Formal charge: | 0 |
| Formula weight: | 458.522 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 6-[(6~{S},8~{R})-8-methyl-7-[2,2,2-tris(fluoranyl)ethyl]-3,6,8,9-tetrahydropyrazolo[4,3-f]isoquinolin-6-yl]-~{N}-(1-propylazetidin-3-yl)pyridin-3-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C24H29F3N6/c1-3-8-32-12-17(13-32)30-16-4-6-22(28-10-16)23-18-5-7-21-20(11-29-31-21)19(18)9-15(2)33(23)14-24(25,26)27/h4-7,10-11,15,17,23,30H,3,8-9,12-14H2,1-2H3,(H,29,31)/t15-,23+/m1/s1 |
| InChIKey | InChI | 1.03 | FWSFTJSCWGLGOE-CMJOXMDJSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCN1CC(C1)Nc2ccc(nc2)[C@H]3N(CC(F)(F)F)[C@H](C)Cc4c3ccc5[nH]ncc45 |
| SMILES | CACTVS | 3.385 | CCCN1CC(C1)Nc2ccc(nc2)[CH]3N(CC(F)(F)F)[CH](C)Cc4c3ccc5[nH]ncc45 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCCN1CC(C1)Nc2ccc(nc2)[C@@H]3c4ccc5c(c4C[C@H](N3CC(F)(F)F)C)cn[nH]5 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCCN1CC(C1)Nc2ccc(nc2)C3c4ccc5c(c4CC(N3CC(F)(F)F)C)cn[nH]5 |
