IL9
Summary
| Name: | 6-cyclopropyl-N-{5-[(2-hydroxy-2-methylpropyl)carbamoyl]-1-methyl-1H-pyrazol-4-yl}-3-[(pyrimidin-5-yl)amino]pyrazine-2-carboxamide |
| Formula: | C21 H25 N9 O3 |
| Formal charge: | 0 |
| Formula weight: | 451.482 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 6-cyclopropyl-N-{5-[(2-hydroxy-2-methylpropyl)carbamoyl]-1-methyl-1H-pyrazol-4-yl}-3-[(pyrimidin-5-yl)amino]pyrazine-2-carboxamide |
| OpenEye OEToolkits | 2.0.7 | 6-cyclopropyl-~{N}-[1-methyl-5-[(2-methyl-2-oxidanyl-propyl)carbamoyl]pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(Nc1cnn(C)c1C(=O)NCC(C)(C)O)c1nc(cnc1Nc1cncnc1)C1CC1 |
| InChI | InChI | 1.03 | InChI=1S/C21H25N9O3/c1-21(2,33)10-25-20(32)17-15(9-26-30(17)3)29-19(31)16-18(27-13-6-22-11-23-7-13)24-8-14(28-16)12-4-5-12/h6-9,11-12,33H,4-5,10H2,1-3H3,(H,24,27)(H,25,32)(H,29,31) |
| InChIKey | InChI | 1.03 | FCCVUUNSJVFWLU-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cn1ncc(NC(=O)c2nc(cnc2Nc3cncnc3)C4CC4)c1C(=O)NCC(C)(C)O |
| SMILES | CACTVS | 3.385 | Cn1ncc(NC(=O)c2nc(cnc2Nc3cncnc3)C4CC4)c1C(=O)NCC(C)(C)O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(C)(CNC(=O)c1c(cnn1C)NC(=O)c2c(ncc(n2)C3CC3)Nc4cncnc4)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(C)(CNC(=O)c1c(cnn1C)NC(=O)c2c(ncc(n2)C3CC3)Nc4cncnc4)O |
