A1EJU
Summary
| Name: | 3-azanyl-4-(7-fluoranyl-2H-indazol-4-yl)-8-methoxy-1H-1,5-naphthyridin-2-one |
| Formula: | C16 H12 F N5 O2 |
| Formal charge: | 0 |
| Formula weight: | 325.297 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 3-azanyl-4-(7-fluoranyl-2~{H}-indazol-4-yl)-8-methoxy-1~{H}-1,5-naphthyridin-2-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C16H12FN5O2/c1-24-10-4-5-19-15-11(12(18)16(23)21-14(10)15)7-2-3-9(17)13-8(7)6-20-22-13/h2-6H,18H2,1H3,(H,20,22)(H,21,23) |
| InChIKey | InChI | 1.06 | CMDVDQKZWRQICJ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1ccnc2c1NC(=O)C(=C2c3ccc(F)c4n[nH]cc34)N |
| SMILES | CACTVS | 3.385 | COc1ccnc2c1NC(=O)C(=C2c3ccc(F)c4n[nH]cc34)N |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COc1ccnc2c1NC(=O)C(=C2c3ccc(c4c3c[nH]n4)F)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | COc1ccnc2c1NC(=O)C(=C2c3ccc(c4c3c[nH]n4)F)N |
