A1AD8
Summary
| Name: | (2P,3P,8S)-2-(5-fluoropyridin-2-yl)-6,6-dimethyl-3-(1H-pyrazolo[3,4-b]pyridin-4-yl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine |
| Formula: | C19 H17 F N6 O |
| Formal charge: | 0 |
| Formula weight: | 364.376 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2P,3P,8S)-2-(5-fluoropyridin-2-yl)-6,6-dimethyl-3-(1H-pyrazolo[3,4-b]pyridin-4-yl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine |
| OpenEye OEToolkits | 2.0.7 | 2-(5-fluoranylpyridin-2-yl)-6,6-dimethyl-3-(1~{H}-pyrazolo[3,4-b]pyridin-4-yl)-4,7-dihydropyrazolo[5,1-c][1,4]oxazine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Fc1ccc(nc1)c1nn2CC(C)(C)OCc2c1c1ccnc2[NH]ncc21 |
| InChI | InChI | 1.06 | InChI=1S/C19H17FN6O/c1-19(2)10-26-15(9-27-19)16(12-5-6-21-18-13(12)8-23-24-18)17(25-26)14-4-3-11(20)7-22-14/h3-8H,9-10H2,1-2H3,(H,21,23,24) |
| InChIKey | InChI | 1.06 | WZMIWVZGYMKUDV-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC1(C)Cn2nc(c3ccc(F)cn3)c(c2CO1)c4ccnc5[nH]ncc45 |
| SMILES | CACTVS | 3.385 | CC1(C)Cn2nc(c3ccc(F)cn3)c(c2CO1)c4ccnc5[nH]ncc45 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC1(Cn2c(c(c(n2)c3ccc(cn3)F)c4ccnc5c4cn[nH]5)CO1)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC1(Cn2c(c(c(n2)c3ccc(cn3)F)c4ccnc5c4cn[nH]5)CO1)C |
