2WI
Summary
| Name: | 6-amino-2-fluoro-N,N-dimethyl-3-(4'-methylspiro[cyclopropane-1,3'-pyrrolo[2,3-b]pyridin]-5'-yl)benzamide |
| Formula: | C19 H19 F N4 O |
| Formal charge: | 0 |
| Formula weight: | 338.379 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 6-amino-2-fluoro-N,N-dimethyl-3-(4'-methylspiro[cyclopropane-1,3'-pyrrolo[2,3-b]pyridin]-5'-yl)benzamide |
| OpenEye OEToolkits | 2.0.7 | 6-azanyl-2-fluoranyl-~{N},~{N}-dimethyl-3-(4'-methylspiro[cyclopropane-1,3'-pyrrolo[2,3-b]pyridine]-5'-yl)benzamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | CN(C)C(=O)c1c(N)ccc(c2cnc3N=CC4(CC4)c3c2C)c1F |
| InChI | InChI | 1.03 | InChI=1S/C19H19FN4O/c1-10-12(8-22-17-15(10)19(6-7-19)9-23-17)11-4-5-13(21)14(16(11)20)18(25)24(2)3/h4-5,8-9H,6-7,21H2,1-3H3 |
| InChIKey | InChI | 1.03 | MPBBKYMTAPEIGF-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN(C)C(=O)c1c(N)ccc(c1F)c2cnc3N=CC4(CC4)c3c2C |
| SMILES | CACTVS | 3.385 | CN(C)C(=O)c1c(N)ccc(c1F)c2cnc3N=CC4(CC4)c3c2C |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1c(cnc2c1C3(CC3)C=N2)c4ccc(c(c4F)C(=O)N(C)C)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1c(cnc2c1C3(CC3)C=N2)c4ccc(c(c4F)C(=O)N(C)C)N |
