ZRU
Summary
| Name: | (8S)-N-cyclopropyl-5-[(2-methoxypyridin-3-yl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide |
| Formula: | C17 H19 N7 O2 |
| Formal charge: | 0 |
| Formula weight: | 353.378 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (8S)-N-cyclopropyl-5-[(2-methoxypyridin-3-yl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide |
| OpenEye OEToolkits | 2.0.7 | ~{N}-cyclopropyl-5-[(2-methoxypyridin-3-yl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | COc1ncccc1Nc1cc(NC)n2ncc(c2n1)C(=O)NC1CC1 |
| InChI | InChI | 1.06 | InChI=1S/C17H19N7O2/c1-18-14-8-13(22-12-4-3-7-19-17(12)26-2)23-15-11(9-20-24(14)15)16(25)21-10-5-6-10/h3-4,7-10,18H,5-6H2,1-2H3,(H,21,25)(H,22,23) |
| InChIKey | InChI | 1.06 | HANGACPWNQHVPZ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CNc1cc(Nc2cccnc2OC)nc3n1ncc3C(=O)NC4CC4 |
| SMILES | CACTVS | 3.385 | CNc1cc(Nc2cccnc2OC)nc3n1ncc3C(=O)NC4CC4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CNc1cc(nc2n1ncc2C(=O)NC3CC3)Nc4cccnc4OC |
| SMILES | OpenEye OEToolkits | 2.0.7 | CNc1cc(nc2n1ncc2C(=O)NC3CC3)Nc4cccnc4OC |
