YD7
Summary
| Name: | ~{N}-[(5~{R})-2-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-6,7,8,9-tetrahydro-5~{H}-benzo[7]annulen-5-yl]-3-propan-2-yloxy-azetidine-1-carboxamide |
| Formula: | C26 H33 N7 O2 |
| Formal charge: | 0 |
| Formula weight: | 475.586 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | ~{N}-[(5~{R})-2-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-6,7,8,9-tetrahydro-5~{H}-benzo[7]annulen-5-yl]-3-propan-2-yloxy-azetidine-1-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C26H33N7O2/c1-17(2)35-21-15-33(16-21)26(34)31-24-7-5-4-6-18-12-19(8-9-22(18)24)23-10-11-27-25(30-23)29-20-13-28-32(3)14-20/h8-14,17,21,24H,4-7,15-16H2,1-3H3,(H,31,34)(H,27,29,30)/t24-/m1/s1 |
| InChIKey | InChI | 1.03 | HYNHKNQQFCVJGQ-XMMPIXPASA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)OC1CN(C1)C(=O)N[C@@H]2CCCCc3cc(ccc23)c4ccnc(Nc5cnn(C)c5)n4 |
| SMILES | CACTVS | 3.385 | CC(C)OC1CN(C1)C(=O)N[CH]2CCCCc3cc(ccc23)c4ccnc(Nc5cnn(C)c5)n4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(C)OC1CN(C1)C(=O)N[C@@H]2CCCCc3c2ccc(c3)c4ccnc(n4)Nc5cnn(c5)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(C)OC1CN(C1)C(=O)NC2CCCCc3c2ccc(c3)c4ccnc(n4)Nc5cnn(c5)C |
