7YA
Summary
| Name: | (2S)-2-hydroxy-N-[[3-[5-hydroxy-4-(1H-pyrrolo[3,2-c]pyridin-2-yl)pyrazol-1-yl]phenyl]methyl]propanamide |
| Formula: | C20 H19 N5 O3 |
| Formal charge: | 0 |
| Formula weight: | 377.397 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | (2~{S})-2-oxidanyl-~{N}-[[3-[5-oxidanyl-4-(1~{H}-pyrrolo[3,2-c]pyridin-2-yl)pyrazol-1-yl]phenyl]methyl]propanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C20H19N5O3/c1-12(26)19(27)22-9-13-3-2-4-15(7-13)25-20(28)16(11-23-25)18-8-14-10-21-6-5-17(14)24-18/h2-8,10-12,24,26,28H,9H2,1H3,(H,22,27)/t12-/m0/s1 |
| InChIKey | InChI | 1.03 | DDFTUZONFSKIPC-LBPRGKRZSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@H](O)C(=O)NCc1cccc(c1)n2ncc(c2O)c3[nH]c4ccncc4c3 |
| SMILES | CACTVS | 3.385 | C[CH](O)C(=O)NCc1cccc(c1)n2ncc(c2O)c3[nH]c4ccncc4c3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | C[C@@H](C(=O)NCc1cccc(c1)n2c(c(cn2)c3cc4cnccc4[nH]3)O)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | CC(C(=O)NCc1cccc(c1)n2c(c(cn2)c3cc4cnccc4[nH]3)O)O |
