7YJ
Summary
| Name: | (2R)-2-hydroxy-N-[[3-[5-hydroxy-4-(1H-pyrrolo[3,2-c]pyridin-2-yl)pyrazol-1-yl]phenyl]methyl]-3-methylbutanamide |
| Formula: | C22 H23 N5 O3 |
| Formal charge: | 0 |
| Formula weight: | 405.45 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | (2~{R})-3-methyl-2-oxidanyl-~{N}-[[3-[5-oxidanyl-4-(1~{H}-pyrrolo[3,2-c]pyridin-2-yl)pyrazol-1-yl]phenyl]methyl]butanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C22H23N5O3/c1-13(2)20(28)21(29)24-10-14-4-3-5-16(8-14)27-22(30)17(12-25-27)19-9-15-11-23-7-6-18(15)26-19/h3-9,11-13,20,26,28,30H,10H2,1-2H3,(H,24,29)/t20-/m1/s1 |
| InChIKey | InChI | 1.03 | HYHVHHKEOHYVCZ-HXUWFJFHSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)[C@@H](O)C(=O)NCc1cccc(c1)n2ncc(c2O)c3[nH]c4ccncc4c3 |
| SMILES | CACTVS | 3.385 | CC(C)[CH](O)C(=O)NCc1cccc(c1)n2ncc(c2O)c3[nH]c4ccncc4c3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CC(C)[C@H](C(=O)NCc1cccc(c1)n2c(c(cn2)c3cc4cnccc4[nH]3)O)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | CC(C)C(C(=O)NCc1cccc(c1)n2c(c(cn2)c3cc4cnccc4[nH]3)O)O |
