(2R,3R,4S,5R)-2-(6-(Ethylamino)-2-(4-(4-methoxyphenyl)-1H-pyrazol-1-yl)-9H-purin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol

Base Information

• Chemical Name: (2R,3R,4S,5R)-2-(6-(Ethylamino)-2-(4-(4-methoxyphenyl)-1H-pyrazol-1-yl)-9H-purin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
• CAS No.: 765299-59-0
• Molecular Formula: C22H25N7O5
• DSSTox Substance ID: DTXSID40457817
• Wikidata: Q82280839
• Pharos Ligand ID: NWF1963FDHPP
• ChEMBL ID: CHEMBL400414
• Mol file: 765299-59-0.mol

Synonyms:765299-59-0;CHEMBL400414;(2R,3R,4S,5R)-2-(6-(Ethylamino)-2-(4-(4-methoxyphenyl)-1H-pyrazol-1-yl)-9H-purin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol;SCHEMBL5384037;DTXSID40457817;BDBM50196568;(2R,3R,4S,5R)-2-[6-(ethylamino)-2-[4-(4-methoxyphenyl)pyrazol-1-yl]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol;(2R,3R,4S,5R)-2-(6-(ethylamino)-2-(4-(4-methoxyphenyl)-1H-pyrazol-1-yl)-9H-purin-9-yl)-5-(hydroxymethyl)-tetrahydrofuran-3,4-diol;(2R,3R,4S,5R)-2-[6-(ethylamino)-2-[4-(4-methoxyphenyl)-1H-pyrazol-1-yl]-9H-purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol

Chemical Property of (2R,3R,4S,5R)-2-(6-(Ethylamino)-2-(4-(4-methoxyphenyl)-1H-pyrazol-1-yl)-9H-purin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol

Chemical Property:

• XLogP3: 1
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 7
• Exact Mass: 467.19171692
• Heavy Atom Count: 34
• Complexity: 672

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCNC1=C2C(=NC(=N1)N3C=C(C=N3)C4=CC=C(C=C4)OC)N(C=N2)C5C(C(C(O5)CO)O)O
• Isomeric SMILES: CCNC1=C2C(=NC(=N1)N3C=C(C=N3)C4=CC=C(C=C4)OC)N(C=N2)[C@H]5[C@@H]([C@@H]([C@H](O5)CO)O)O