JL6
Summary
| Name: | 6-cyclopropyl-N-[(3R)-1-(pyridin-2-yl)pyrrolidin-3-yl]-3-[(pyrimidin-5-yl)amino]pyridine-2-carboxamide |
| Formula: | C22 H23 N7 O |
| Formal charge: | 0 |
| Formula weight: | 401.464 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 6-cyclopropyl-N-[(3R)-1-(pyridin-2-yl)pyrrolidin-3-yl]-3-[(pyrimidin-5-yl)amino]pyridine-2-carboxamide |
| OpenEye OEToolkits | 2.0.7 | 6-cyclopropyl-~{N}-[(3~{R})-1-pyridin-2-ylpyrrolidin-3-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(NC1CCN(C1)c1ncccc1)c1nc(ccc1Nc1cncnc1)C1CC1 |
| InChI | InChI | 1.03 | InChI=1S/C22H23N7O/c30-22(27-16-8-10-29(13-16)20-3-1-2-9-25-20)21-19(26-17-11-23-14-24-12-17)7-6-18(28-21)15-4-5-15/h1-3,6-7,9,11-12,14-16,26H,4-5,8,10,13H2,(H,27,30)/t16-/m1/s1 |
| InChIKey | InChI | 1.03 | MBCVUFONUVANNW-MRXNPFEDSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=C(N[C@@H]1CCN(C1)c2ccccn2)c3nc(ccc3Nc4cncnc4)C5CC5 |
| SMILES | CACTVS | 3.385 | O=C(N[CH]1CCN(C1)c2ccccn2)c3nc(ccc3Nc4cncnc4)C5CC5 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccnc(c1)N2CC[C@H](C2)NC(=O)c3c(ccc(n3)C4CC4)Nc5cncnc5 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccnc(c1)N2CCC(C2)NC(=O)c3c(ccc(n3)C4CC4)Nc5cncnc5 |
