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

HCID 57750311
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Basic information

Standard SMILES
CS(=O)(=O)NCC(NC(=O)C1(N)CCN(c2ncnc3[nH]ccc23)CC1)c1ccc(Cl)cc1
InChIKey
NZHFMDCYXYDUQJ-UHFFFAOYSA-N
Molecular formula
C21H26ClN7O3S
Average molar mass
492 g/mol
Monoisotopic mass
491.1506366

Names & identifiers

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

Names & synonyms

CHEMBL2325735SCHEMBL391897NZHFMDCYXYDUQJ-UHFFFAOYSA-NBDBM504273544-amino-N-(1-(4-chlorophenyl)-2-(methylsulfonamido)ethyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide

Database identifiers

PubChem CID
57750311
ChEMBL
CHEMBL2325735

Properties

Computed structural properties

XLogP
1.1
Topological polar surface area
154 Ų
Hydrogen bond donors
4
Hydrogen bond acceptors
8
Rotatable bonds
7
Heavy atoms
33

Related reactions

2 records
New reaction record

Compound notes

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