Basic information
- Standard SMILES
NC1(C(=O)NC(CO)c2ccc(Cl)cc2)CCN(c2ncnc3[nH]ccc23)CC1- InChIKey
ZVHIYNJZANDKEG-UHFFFAOYSA-N- Molecular formula
- C20H23ClN6O2
- Average molar mass
- 414.9 g/mol
Names & identifiers
- Preferred name
- 4-amino-N-(1-(4-chlorophenyl)-2-hydroxyethyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide
- IUPAC
- 4-amino-N-[1-(4-chlorophenyl)-2-hydroxyethyl]-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide
Names & synonyms
CHEMBL2325737SCHEMBL393210ZVHIYNJZANDKEG-UHFFFAOYSA-NBDBM504273524-amino-N-(1-(4-chlorophenyl)-2-hydroxyethyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide
Database identifiers
- PubChem CID
- 42602176
- ChEMBL
CHEMBL2325737
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 120 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 565
Related reactions
2 records
Compound notes
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