1-(1,3-benzoxazol-2-yl)-4-(2-chloro-4-fluorophenyl)-3-methyl-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
					Chemical Structure Depiction of
1-(1,3-benzoxazol-2-yl)-4-(2-chloro-4-fluorophenyl)-3-methyl-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
			1-(1,3-benzoxazol-2-yl)-4-(2-chloro-4-fluorophenyl)-3-methyl-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
Compound characteristics
| Compound ID: | J094-0261 | 
| Compound Name: | 1-(1,3-benzoxazol-2-yl)-4-(2-chloro-4-fluorophenyl)-3-methyl-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one | 
| Molecular Weight: | 396.81 | 
| Molecular Formula: | C20 H14 Cl F N4 O2 | 
| Smiles: | Cc1c2C(CC(Nc2n(c2nc3ccccc3o2)n1)=O)c1ccc(cc1[Cl])F | 
| Stereo: | RACEMIC MIXTURE | 
| logP: | 4.4063 | 
| logD: | 4.4062 | 
| logSw: | -4.4501 | 
| Hydrogen bond acceptors count: | 5 | 
| Hydrogen bond donors count: | 1 | 
| Polar surface area: | 56.244 | 
| InChI Key: | MAINONIXGFFGPK-CYBMUJFWSA-N | 
 
				 
				