(R)-5-(4-phenoxyphenyl)-7-(piperidin-3-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
Basic information
- Standard SMILES
Nc1ncnc2c1c(-c1ccc(Oc3ccccc3)cc1)cn2[C@@H]1CCCNC1- InChIKey
PCCAVXIMFOMEGI-QGZVFWFLSA-N- Molecular formula
- C23H23N5O
- Average molar mass
- 385.5 g/mol
- Monoisotopic mass
- 385.19026037
Names & identifiers
- Preferred name
- (R)-5-(4-phenoxyphenyl)-7-(piperidin-3-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
- IUPAC
- 5-(4-phenoxyphenyl)-7-[(3R)-piperidin-3-yl]pyrrolo[2,3-d]pyrimidin-4-amine
Names & synonyms
SCHEMBL13858219PCCAVXIMFOMEGI-QGZVFWFLSA-N(R)-5-(4-phenoxyphenyl)-7-(piperidin-3-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
Database identifiers
- PubChem CID
- 71014248
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 78 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 519
Related reactions
15 records
Compound notes
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