Summary
| Name: | 1-cyclopentyl-3-(1~{H}-pyrrolo[2,3-b]pyridin-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine |
| Formula: | C17 H17 N7 |
| Formal charge: | 0 |
| Formula weight: | 319.364 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | 1-cyclopentyl-3-(1~{H}-pyrrolo[2,3-b]pyridin-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C17H17N7/c18-15-13-14(11-7-10-5-6-19-16(10)20-8-11)23-24(12-3-1-2-4-12)17(13)22-9-21-15/h5-9,12H,1-4H2,(H,19,20)(H2,18,21,22) |
| InChIKey | InChI | 1.03 | NVRXTLZYXZNATH-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Nc1ncnc2n(nc(c3cnc4[nH]ccc4c3)c12)C5CCCC5 |
| SMILES | CACTVS | 3.385 | Nc1ncnc2n(nc(c3cnc4[nH]ccc4c3)c12)C5CCCC5 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1c[nH]c2c1cc(cn2)c3c4c(ncnc4n(n3)C5CCCC5)N |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1c[nH]c2c1cc(cn2)c3c4c(ncnc4n(n3)C5CCCC5)N |
