V7I
Summary
| Name: | 1-[(1S,5S,6S)-6-methyl-6-{[(6M,8R)-6-(1-methyl-1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxy}-2-azabicyclo[3.2.0]heptan-2-yl]propan-1-one |
| Formula: | C20 H24 N6 O2 |
| Formal charge: | 0 |
| Formula weight: | 380.444 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 1-[(1S,5S,6S)-6-methyl-6-{[(6M,8R)-6-(1-methyl-1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxy}-2-azabicyclo[3.2.0]heptan-2-yl]propan-1-one |
| OpenEye OEToolkits | 2.0.7 | 1-[(1~{R},5~{R},6~{S})-6-methyl-6-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxy-2-azabicyclo[3.2.0]heptan-2-yl]propan-1-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | CCC(=O)N1CCC2C1CC2(C)Oc1nc(cn2nccc12)c1cn(C)nc1 |
| InChI | InChI | 1.06 | InChI=1S/C20H24N6O2/c1-4-18(27)25-8-6-14-17(25)9-20(14,2)28-19-16-5-7-21-26(16)12-15(23-19)13-10-22-24(3)11-13/h5,7,10-12,14,17H,4,6,8-9H2,1-3H3/t14?,17-,20-/m0/s1 |
| InChIKey | InChI | 1.06 | AJJZIJYLCBVMRU-DRWNPLCXSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCC(=O)N1CC[C@@H]2[C@H]1C[C@]2(C)Oc3nc(cn4nccc34)c5cnn(C)c5 |
| SMILES | CACTVS | 3.385 | CCC(=O)N1CC[CH]2[CH]1C[C]2(C)Oc3nc(cn4nccc34)c5cnn(C)c5 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCC(=O)N1CC[C@@H]2[C@H]1C[C@]2(C)Oc3c4ccnn4cc(n3)c5cnn(c5)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCC(=O)N1CCC2C1CC2(C)Oc3c4ccnn4cc(n3)c5cnn(c5)C |
