A1L53
Summary
| Name: | N-[4-[4-amino-6-ethynyl-5-(3-quinolyl)pyrrolo[2,3-d]pyrimidin-7-yl]norbornan-1-yl]pyrimidine-5-carboxamide |
| Synonyms: | ~{N}-[4-(4-azanyl-6-ethynyl-5-quinolin-3-yl-pyrrolo[2,3-d]pyrimidin-7-yl)-1-bicyclo[2.2.1]heptanyl]pyrimidine-5-carboxamide |
| Formula: | C29 H24 N8 O |
| Formal charge: | 0 |
| Formula weight: | 500.554 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | ~{N}-[4-(4-azanyl-6-ethynyl-5-quinolin-3-yl-pyrrolo[2,3-d]pyrimidin-7-yl)-1-bicyclo[2.2.1]heptanyl]pyrimidine-5-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C29H24N8O/c1-2-22-23(19-11-18-5-3-4-6-21(18)33-14-19)24-25(30)34-17-35-26(24)37(22)29-9-7-28(15-29,8-10-29)36-27(38)20-12-31-16-32-13-20/h1,3-6,11-14,16-17H,7-10,15H2,(H,36,38)(H2,30,34,35)/t28-,29+ |
| InChIKey | InChI | 1.06 | JTIOULFGKCXQAT-ISILISOKSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Nc1ncnc2n(c(C#C)c(c3cnc4ccccc4c3)c12)C56CCC(CC5)(C6)NC(=O)c7cncnc7 |
| SMILES | CACTVS | 3.385 | Nc1ncnc2n(c(C#C)c(c3cnc4ccccc4c3)c12)C56CCC(CC5)(C6)NC(=O)c7cncnc7 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C#Cc1c(c2c(ncnc2n1C34CCC(C3)(CC4)NC(=O)c5cncnc5)N)c6cc7ccccc7nc6 |
| SMILES | OpenEye OEToolkits | 2.0.7 | C#Cc1c(c2c(ncnc2n1C34CCC(C3)(CC4)NC(=O)c5cncnc5)N)c6cc7ccccc7nc6 |
