A1JNK
Summary
| Name: | 5-methyl-~{N}-[(3~{R})-1-methylpiperidin-3-yl]-6-(2-methyl-1~{H}-pyrrolo[2,3-b]pyridin-6-yl)pyridazin-3-amine |
| Formula: | C19 H24 N6 |
| Formal charge: | 0 |
| Formula weight: | 336.434 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 5-methyl-~{N}-[(3~{R})-1-methylpiperidin-3-yl]-6-(2-methyl-1~{H}-pyrrolo[2,3-b]pyridin-6-yl)pyridazin-3-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C19H24N6/c1-12-9-17(21-15-5-4-8-25(3)11-15)23-24-18(12)16-7-6-14-10-13(2)20-19(14)22-16/h6-7,9-10,15H,4-5,8,11H2,1-3H3,(H,20,22)(H,21,23)/t15-/m1/s1 |
| InChIKey | InChI | 1.06 | HNZKLSSKFNXSQZ-OAHLLOKOSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN1CCC[C@H](C1)Nc2cc(C)c(nn2)c3ccc4cc(C)[nH]c4n3 |
| SMILES | CACTVS | 3.385 | CN1CCC[CH](C1)Nc2cc(C)c(nn2)c3ccc4cc(C)[nH]c4n3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1cc(nnc1c2ccc3cc([nH]c3n2)C)N[C@@H]4CCCN(C4)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1cc(nnc1c2ccc3cc([nH]c3n2)C)NC4CCCN(C4)C |
