Basic information
- Standard SMILES
CCc1cnn([C@H]2C[C@@H](n3cnc4c(NCC(c5ccccc5)c5ccccc5)nc(N5CC[C@@H](N)C5)nc43)[C@H](O)[C@@H]2O)c1- InChIKey
RFNPDZRTGBUAFA-WWHPBOINSA-N- Molecular formula
- C33H39N9O2
- Average molar mass
- 593.7 g/mol
Names & identifiers
- Preferred name
- (1R,2S,3R,5S)-3-[2-((R)-3-amino-pyrrolidin-1-yl)-6-(2,2-diphenyl-ethylamino)-purin-9-yl]-5-(4-ethyl-pyrazol-1-yl)-cyclopentan-1,2-diol
- IUPAC
- (1R,2S,3R,5S)-3-[2-[(3R)-3-aminopyrrolidin-1-yl]-6-(2,2-diphenylethylamino)purin-9-yl]-5-(4-ethylpyrazol-1-yl)cyclopentane-1,2-diol
Names & synonyms
SCHEMBL589459RFNPDZRTGBUAFA-WWHPBOINSA-N(1R,2S,3R,5S)-3-[2-((R)-3-amino-pyrrolidin-1-yl)-6-(2,2-dipheny-ethylamino)-purin-9-yl]-5-(4-ethyl-pyrazol-1-yl)-cyclopentane-1,2-diol(1R,2S,3R,5S)-3-[2-((R)-3-amino-pyrrolidin-1-yl)-6-(2,2-diphenyl-ethylamino)-purin-9-yl]-5-(4-ethyl-pyrazol-1-yl)-cyclopentan-1,2-diol(1R,2S,3R,5S)-3-[2-((R)-3-amino-pyrrolidin-1-yl)-6-(2,2-diphenyl-ethylamino)-purin-9-yl]-5-(4-ethyl-pyrazol-1-yl)-cyclopentane-1,2-diol
Database identifiers
- PubChem CID
- 66735977
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 143 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 9
- Heavy atoms
- 44
- Formal charge
- 0
- Complexity
- 902
Related reactions
3 records
Compound notes
Loading…