| SpectraBase Spectrum ID |
7IPcqWBbXTp |
| Name |
6H-Pyrazolo[3,4-B]pyridin-6-one, 1-(4,6-dimethyl-2-pyrimidinyl)-1,4,5,7-tetrahydro-3-methyl-4-[4-(2-propynyloxy)phenyl]- |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
387.169524934 u |
| Formula |
C22H21N5O2 |
| InChI |
InChI=1S/C22H21N5O2/c1-5-10-29-17-8-6-16(7-9-17)18-12-19(28)25-21-20(18)15(4)26-27(21)22-23-13(2)11-14(3)24-22/h1,6-9,11,18H,10,12H2,2-4H3,(H,25,28) |
| InChIKey |
NMDGJMYTCMZYQI-UHFFFAOYSA-N |
| Molecular Weight |
387.443 g/mol |
| SMILES |
N1C(CC(C=2C(=NN(C12)C1=NC(C)=CC(=N1)C)C)C=1C=CC(=CC1)OCC#C)=O |
![6H-pyrazolo[3,4-b]pyridin-6-one, 1-(4,6-dimethyl-2-pyrimidinyl)-1,4,5,7-tetrahydro-3-methyl-4-[4-(2-propynyloxy)phenyl]-](/api/spectrum/7IPcqWBbXTp/structure.png?h=300&w=458 "6H-pyrazolo[3,4-b]pyridin-6-one, 1-(4,6-dimethyl-2-pyrimidinyl)-1,4,5,7-tetrahydro-3-methyl-4-[4-(2-propynyloxy)phenyl]-")
