YHG
Summary
| Name: | (3~{S})-~{N}-[4-[[5-(1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)-3-methyl-6,7-dihydro-4~{H}-pyrazolo[4,3-c]pyridin-1-yl]methyl]-1-bicyclo[2.2.2]octanyl]morpholine-3-carboxamide |
| Formula: | C29 H40 N8 O2 |
| Formal charge: | 0 |
| Formula weight: | 532.68 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (3~{S})-~{N}-[4-[[5-(1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)-3-methyl-6,7-dihydro-4~{H}-pyrazolo[4,3-c]pyridin-1-yl]methyl]-1-bicyclo[2.2.2]octanyl]morpholine-3-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C29H40N8O2/c1-19-14-25(21-15-31-35(3)26(21)32-19)36-12-4-24-22(16-36)20(2)34-37(24)18-28-5-8-29(9-6-28,10-7-28)33-27(38)23-17-39-13-11-30-23/h14-15,23,30H,4-13,16-18H2,1-3H3,(H,33,38)/t23-,28-,29+/m0/s1 |
| InChIKey | InChI | 1.06 | OXDQXRVWDYGAHX-WTWMYVDVSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cn1ncc2c(cc(C)nc12)N3CCc4n(CC56CCC(CC5)(CC6)NC(=O)[C@@H]7COCCN7)nc(C)c4C3 |
| SMILES | CACTVS | 3.385 | Cn1ncc2c(cc(C)nc12)N3CCc4n(CC56CCC(CC5)(CC6)NC(=O)[CH]7COCCN7)nc(C)c4C3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1cc(c2cnn(c2n1)C)N3CCc4c(c(nn4CC56CCC(CC5)(CC6)NC(=O)[C@@H]7COCCN7)C)C3 |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1cc(c2cnn(c2n1)C)N3CCc4c(c(nn4CC56CCC(CC5)(CC6)NC(=O)C7COCCN7)C)C3 |
