Basic information
- Standard SMILES
CCc1cnn([C@H]2C[C@@H](n3cnc4c(NCC(c5ccccc5)c5ccccc5)nc(N5CC[C@@H](N6CCCC6)C5)nc43)[C@H](O)[C@@H]2O)c1.O=C(O)C(F)(F)F- InChIKey
CMTCSQQLUNZYFV-PSJUVJHDSA-N- Molecular formula
- C39H46F3N9O4
- Average molar mass
- 761.8 g/mol
- Monoisotopic mass
- 761.36248547
Names & identifiers
- Preferred name
- (1R,2S,3R,5S)-3-[(R)-2-[1,3']Bipyrrolidinyl-1'-yl-6-(2,2-diphenyl-ethylamino)-purin-9-yl]-5-(4-ethyl-pyrazol-1-yl)-cyclopentane-1,2-diol Trifluoroacetate
- IUPAC
- (1R,2S,3R,5S)-3-[6-(2,2-diphenylethylamino)-2-[(3R)-3-pyrrolidin-1-ylpyrrolidin-1-yl]purin-9-yl]-5-(4-ethylpyrazol-1-yl)cyclopentane-1,2-diol;2,2,2-trifluoroacetic acid
Names & synonyms
(1R,2S,3R,5S)-3-[(R)-2-[1,3']Bipyrrolidinyl-1'-yl-6-(2,2-diphenyl-ethylamino)-purin-9-yl]-5-(4-ethyl-pyrazol-1-yl)-cyclopentane-1,2-diol TrifluoroacetateSCHEMBL589063
Database identifiers
- PubChem CID
- 66735787
Properties
Computed structural properties
- Topological polar surface area
- 158 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 14
- Rotatable bonds
- 10
- Heavy atoms
- 55
- Formal charge
- 0
- Complexity
- 1,090
Related reactions
1 records
Compound notes
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