|
Ligand Download |
||
 | ||
| Ligand Name: 5-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-7-oxidanylidene-6-propan-2-yl-6~{H}-pyrazolo[1,5-a]pyrimidine-3-carbonitrile | ||
| HET ID: 79H | PubChem: 137348577, 138753103 | |
| DrugBank: - | ChEMBL: - | |
| Canonical SMILES: N#Cc1cnn2c1N=C(c1cnn(c1)CCN(C)C)C(C2=O)C(C)C | ||
| Standard InChI: InChI=1S/C17H21N7O/c1-11(2)14-15(13-9-19-23(10-13)6-5-22(3)4)21-16-12(7-18)8-20-24(16)17(14)25/h8-11,14H,5-6H2,1-4H3 | ||
| Molecular Formula: C17H21N7O | Mol. Weight: 339.39493 | Heavy Atoms: 25 |
| Charge: 0 | Is Chiral: True | logP: 0.99528 |
| HBD: 0 | HBA: 8 | TPSA: 92.1 |
| #Bonds: 27 | #Rotatable Bonds: 5 | Shape Complexity: 0.5 |
| Stereocomplexity: 0.05882353 | ||