FO2
Summary
| Name: | 8-[4-(1-methylpiperidin-4-yl)pyrazol-1-yl]-3~{H}-pyrido[3,4-d]pyrimidin-4-one |
| Formula: | C16 H18 N6 O |
| Formal charge: | 0 |
| Formula weight: | 310.354 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | 8-[4-(1-methylpiperidin-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/C16H18N6O/c1-21-6-3-11(4-7-21)12-8-20-22(9-12)15-14-13(2-5-17-15)16(23)19-10-18-14/h2,5,8-11H,3-4,6-7H2,1H3,(H,18,19,23) |
| InChIKey | InChI | 1.03 | WDLBUONJQGHSKT-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN1CCC(CC1)c2cnn(c2)c3nccc4C(=O)NC=Nc34 |
| SMILES | CACTVS | 3.385 | CN1CCC(CC1)c2cnn(c2)c3nccc4C(=O)NC=Nc34 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CN1CCC(CC1)c2cnn(c2)c3c4c(ccn3)C(=O)NC=N4 |
| SMILES | OpenEye OEToolkits | 2.0.6 | CN1CCC(CC1)c2cnn(c2)c3c4c(ccn3)C(=O)NC=N4 |
