FQN
Summary
| Name: | 8-[4-(1-cyclopentylpiperidin-4-yl)pyrazol-1-yl]-3~{H}-pyrido[3,4-d]pyrimidin-4-one |
| Formula: | C20 H24 N6 O |
| Formal charge: | 0 |
| Formula weight: | 364.444 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | 8-[4-(1-cyclopentylpiperidin-4-yl)pyrazol-1-yl]-3~{H}-pyrido[3,4-d]pyrimidin-4-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C20H24N6O/c27-20-17-5-8-21-19(18(17)22-13-23-20)26-12-15(11-24-26)14-6-9-25(10-7-14)16-3-1-2-4-16/h5,8,11-14,16H,1-4,6-7,9-10H2,(H,22,23,27) |
| InChIKey | InChI | 1.03 | XYBBSEAKIBCXQV-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=C1NC=Nc2c1ccnc2n3cc(cn3)C4CCN(CC4)C5CCCC5 |
| SMILES | CACTVS | 3.385 | O=C1NC=Nc2c1ccnc2n3cc(cn3)C4CCN(CC4)C5CCCC5 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1cnc(c2c1C(=O)NC=N2)n3cc(cn3)C4CCN(CC4)C5CCCC5 |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1cnc(c2c1C(=O)NC=N2)n3cc(cn3)C4CCN(CC4)C5CCCC5 |
