A1DG5
Summary
| Name: | (4R)-1-cyclopentyl-4-(3-hydroxyphenyl)-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one |
| Formula: | C17 H19 N3 O2 |
| Formal charge: | 0 |
| Formula weight: | 297.352 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | (4R)-1-cyclopentyl-4-(3-hydroxyphenyl)-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one |
| OpenEye OEToolkits | 3.1.0.0 | (4~{R})-1-cyclopentyl-4-(3-hydroxyphenyl)-5,7-dihydro-4~{H}-pyrazolo[3,4-b]pyridin-6-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | Oc1cccc(c1)C1CC(=O)Nc2c1cnn2C1CCCC1 |
| InChI | InChI | 1.06 | InChI=1S/C17H19N3O2/c21-13-7-3-4-11(8-13)14-9-16(22)19-17-15(14)10-18-20(17)12-5-1-2-6-12/h3-4,7-8,10,12,14,21H,1-2,5-6,9H2,(H,19,22)/t14-/m1/s1 |
| InChIKey | InChI | 1.06 | WTQXEZWOQANDCS-CQSZACIVSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Oc1cccc(c1)[C@H]2CC(=O)Nc3n(ncc23)C4CCCC4 |
| SMILES | CACTVS | 3.385 | Oc1cccc(c1)[CH]2CC(=O)Nc3n(ncc23)C4CCCC4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | c1cc(cc(c1)O)[C@H]2CC(=O)Nc3c2cnn3C4CCCC4 |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | c1cc(cc(c1)O)C2CC(=O)Nc3c2cnn3C4CCCC4 |
