SX7
Summary
| Name: | 2-amino-5-[3-(1-ethyl-1H-pyrazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzamide |
| Synonyms: | 2-Amino-5-[3-(2-ethyl-2H-pyrazol-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethyl-benzamide |
| Formula: | C21 H22 N6 O |
| Formal charge: | 0 |
| Formula weight: | 374.439 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 2-amino-5-[3-(1-ethyl-1H-pyrazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzamide |
| OpenEye OEToolkits | 1.5.0 | 2-amino-5-[3-(2-ethylpyrazol-3-yl)-1H-pyrrolo[3,2-e]pyridin-5-yl]-N,N-dimethyl-benzamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(N(C)C)c4cc(c1cc2c(nc1)ncc2c3ccnn3CC)ccc4N |
| SMILES_CANONICAL | CACTVS | 3.341 | CCn1nccc1c2c[nH]c3ncc(cc23)c4ccc(N)c(c4)C(=O)N(C)C |
| SMILES | CACTVS | 3.341 | CCn1nccc1c2c[nH]c3ncc(cc23)c4ccc(N)c(c4)C(=O)N(C)C |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CCn1c(ccn1)c2c[nH]c3c2cc(cn3)c4ccc(c(c4)C(=O)N(C)C)N |
| SMILES | OpenEye OEToolkits | 1.5.0 | CCn1c(ccn1)c2c[nH]c3c2cc(cn3)c4ccc(c(c4)C(=O)N(C)C)N |
| InChI | InChI | 1.03 | InChI=1S/C21H22N6O/c1-4-27-19(7-8-25-27)17-12-24-20-15(17)10-14(11-23-20)13-5-6-18(22)16(9-13)21(28)26(2)3/h5-12H,4,22H2,1-3H3,(H,23,24) |
| InChIKey | InChI | 1.03 | INAGORZAOFUKOZ-UHFFFAOYSA-N |
