A1H2W
Summary
| Name: | N-[(1S,2R)-2-azanylcyclohexyl]-5-[2-[(3,5-dimethylphenyl)amino]pyrimidin-4-yl]-2-methyl-pyrazole-3-carboxamide |
| Formula: | C23 H29 N7 O |
| Formal charge: | 0 |
| Formula weight: | 419.523 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | ~{N}-[(1~{S},2~{R})-2-azanylcyclohexyl]-5-[2-[(3,5-dimethylphenyl)amino]pyrimidin-4-yl]-2-methyl-pyrazole-3-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C23H29N7O/c1-14-10-15(2)12-16(11-14)26-23-25-9-8-19(28-23)20-13-21(30(3)29-20)22(31)27-18-7-5-4-6-17(18)24/h8-13,17-18H,4-7,24H2,1-3H3,(H,27,31)(H,25,26,28)/t17-,18+/m1/s1 |
| InChIKey | InChI | 1.06 | DEYILQIXALFSOO-MSOLQXFVSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cn1nc(cc1C(=O)N[C@H]2CCCC[C@H]2N)c3ccnc(Nc4cc(C)cc(C)c4)n3 |
| SMILES | CACTVS | 3.385 | Cn1nc(cc1C(=O)N[CH]2CCCC[CH]2N)c3ccnc(Nc4cc(C)cc(C)c4)n3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1cc(cc(c1)Nc2nccc(n2)c3cc(n(n3)C)C(=O)N[C@H]4CCCC[C@H]4N)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1cc(cc(c1)Nc2nccc(n2)c3cc(n(n3)C)C(=O)NC4CCCCC4N)C |
