PDY
Summary
| Name: | N~7~-(4-ethoxyphenyl)-6-methyl-N~5~-[(3S)-piperidin-3-yl]pyrazolo[1,5-a]pyrimidine-5,7-diamine |
| Synonyms: | {5-[((3S)(3-piperidyl))amino]-6-methyl(pyrazolo[1,5-a]pyrimidin-7-yl)}(4-ethoxyphenyl)amine |
| Formula: | C20 H26 N6 O |
| Formal charge: | 0 |
| Formula weight: | 366.46 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | N~7~-(4-ethoxyphenyl)-6-methyl-N~5~-[(3S)-piperidin-3-yl]pyrazolo[1,5-a]pyrimidine-5,7-diamine |
| OpenEye OEToolkits | 1.5.0 | N'-(4-ethoxyphenyl)-6-methyl-N-[(3S)-piperidin-3-yl]pyrazolo[1,5-a]pyrimidine-5,7-diamine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | n3c(NC1CCCNC1)c(c(Nc2ccc(OCC)cc2)n4nccc34)C |
| SMILES_CANONICAL | CACTVS | 3.341 | CCOc1ccc(Nc2n3nccc3nc(N[C@H]4CCCNC4)c2C)cc1 |
| SMILES | CACTVS | 3.341 | CCOc1ccc(Nc2n3nccc3nc(N[CH]4CCCNC4)c2C)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CCOc1ccc(cc1)Nc2c(c(nc3n2ncc3)N[C@H]4CCCNC4)C |
| SMILES | OpenEye OEToolkits | 1.5.0 | CCOc1ccc(cc1)Nc2c(c(nc3n2ncc3)NC4CCCNC4)C |
| InChI | InChI | 1.03 | InChI=1S/C20H26N6O/c1-3-27-17-8-6-15(7-9-17)24-20-14(2)19(23-16-5-4-11-21-13-16)25-18-10-12-22-26(18)20/h6-10,12,16,21,24H,3-5,11,13H2,1-2H3,(H,23,25)/t16-/m0/s1 |
| InChIKey | InChI | 1.03 | WJOUGMPFYANZMI-INIZCTEOSA-N |
