(R)-4-amino-N-(1-(4-chlorophenyl)ethyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide
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Basic information
- Standard SMILES
C[C@@H](NC(=O)C1(N)CCN(c2ncnc3[nH]ccc23)CC1)c1ccc(Cl)cc1- InChIKey
RCUDMUZVZCVJCO-CYBMUJFWSA-N- Molecular formula
- C20H23ClN6O
- Average molar mass
- 398.9 g/mol
- Monoisotopic mass
- 398.1621871
Names & identifiers
- Preferred name
- (R)-4-amino-N-(1-(4-chlorophenyl)ethyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide
- IUPAC
- 4-amino-N-[(1R)-1-(4-chlorophenyl)ethyl]-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide
Names & synonyms
CHEMBL2325742SCHEMBL391158RCUDMUZVZCVJCO-CYBMUJFWSA-NBDBM50427348(R)-4-amino-N-(1-(4-chlorophenyl)ethyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide
Database identifiers
- PubChem CID
- 57750343
- ChEMBL
CHEMBL2325742
Properties
Computed structural propertiesFilling in
- XLogP
- 2.4
- Topological polar surface area
- 99.9 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 547
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Related reactions
1 records
Compound notes
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