 |
| 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 |
Ligand Type: Small Molecule |