CHEMBL318483
(2R,3R,4S,5R)-2-[6-amino-2-[4-(4-chlorophenyl)pyrazol-1-yl]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
Also Known As: J1.806.395F|2-[4-(4-Chlorophenyl)-1H-pyrazol-1-yl]adenosine|2-[4-(4-Chlorophenyl)-1H-pyrazole-1-yl]adenosine|2-[4-(4-Chlorophenyl)-1H-pyrazol-1-yl]-Adenosine|Adenosine, 2-[4-(4-chlorophenyl)-1H-pyrazol-1-yl]-|(2R,3R,4S,5R)-2-{6-Amino-2-[4-(4-chloro-phenyl)-pyrazol-1-yl]-purin-9-yl}-5-hydroxymethyl-tetrahydro-furan-3,4-diol|(2R,3R,4S,5R)-2-{6-amino-2-[4-(4-chlorophenyl)-1H-pyrazol-1-yl]-9H-purin-9-yl}-5-(hydroxymethyl)oxolane-3,4-diol
| Molecular Formula | C19H18ClN7O4 |
|---|---|
| Molecular Weight | 443.11087 g/mol |
| LogP | 0.5261 |
| Topological Polar Surface Area | 157.36 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 4 |
| Exact Mass | 443.11087 |
| Monoisotopic Mass | 443.11087 |
| Heavy Atoms | 31 |
| Complexity | 1242.0239 |
Chemical Identifiers
| CAS Number | 313348-20-8 |
|---|---|
| SMILES | C1=CC(=CC=C1C2=CN(N=C2)C3=NC(=C4C(=N3)N(C=N4)[C@H]5[C@@H]([C@@H]([C@H](O5)CO)O)O)N)Cl |
Product Overview
CHEMBL318483 (CAS 313348-20-8), with molecular formula C19H18ClN7O4 and molecular weight 443.11087 g/mol. IUPAC: (2R,3R,4S,5R)-2-[6-amino-2-[4-(4-chlorophenyl)pyrazol-1-yl]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol.