(S)-4-amino-N-(1-(4-chlorophenyl)ethyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide

HCID 57750408
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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-ZDUSSCGKSA-N
Molecular formula
C20H23ClN6O
Average molar mass
398.9 g/mol

Names & identifiers

Preferred name
(S)-4-amino-N-(1-(4-chlorophenyl)ethyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide
IUPAC
4-amino-N-[(1S)-1-(4-chlorophenyl)ethyl]-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide

Names & synonyms

CHEMBL2325743SCHEMBL390673RCUDMUZVZCVJCO-ZDUSSCGKSA-NBDBM50427347(S)-4-amino-N-(1-(4-chlorophenyl)ethyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide

Database identifiers

PubChem CID
57750408
ChEMBL
CHEMBL2325743

Properties

Computed structural properties

XLogP
2.4
Topological polar surface area
99.9 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
5
Rotatable bonds
4
Heavy atoms
28

Related reactions

1 records
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Compound notes

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