3-methyl-1-(3-methyl[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-4-{3-[(prop-2-en-1-yl)oxy]phenyl}-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
Chemical Structure Depiction of
3-methyl-1-(3-methyl[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-4-{3-[(prop-2-en-1-yl)oxy]phenyl}-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
3-methyl-1-(3-methyl[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-4-{3-[(prop-2-en-1-yl)oxy]phenyl}-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
Compound characteristics
| Compound ID: | J081-0991 |
| Compound Name: | 3-methyl-1-(3-methyl[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-4-{3-[(prop-2-en-1-yl)oxy]phenyl}-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one |
| Molecular Weight: | 415.45 |
| Molecular Formula: | C22 H21 N7 O2 |
| Smiles: | Cc1c2C(CC(Nc2n(c2ccc3nnc(C)n3n2)n1)=O)c1cccc(c1)OCC=C |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.0252 |
| logD: | 2.0218 |
| logSw: | -2.7025 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.18 |
| InChI Key: | WSGMMGBNNYUGAY-KRWDZBQOSA-N |