PDB CCD ID: | SX7 |
Number of entries in BioLiP: | 6 |
Chemical formula: | C21 H22 N6 O |
InChI: | 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: | INAGORZAOFUKOZ-UHFFFAOYSA-N |
SMILES: | Software | SMILES |
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CACTVS 3.341 | CCn1nccc1c2c[nH]c3ncc(cc23)c4ccc(N)c(c4)C(=O)N(C)C | OpenEye OEToolkits 1.5.0 | CCn1c(ccn1)c2c[nH]c3c2cc(cn3)c4ccc(c(c4)C(=O)N(C)C)N | ACDLabs 10.04 | O=C(N(C)C)c4cc(c1cc2c(nc1)ncc2c3ccnn3CC)ccc4N |
|
Name: | 2-amino-5-[3-(1-ethyl-1H-pyrazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzamide; 2-Amino-5-[3-(2-ethyl-2H-pyrazol-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethyl-benzamide |
DrugBank: | DB08583 |
ZINC: | ZINC000044459878 |