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

HCID 57750335
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Basic information

Standard SMILES
NCCC(NC(=O)C1(N)CCN(c2ncnc3[nH]ccc23)CC1)c1ccc(Cl)cc1
InChIKey
CLFKFNXPIRYYMC-UHFFFAOYSA-N
Molecular formula
C21H26ClN7O
Average molar mass
427.9 g/mol

Names & identifiers

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

Names & synonyms

SCHEMBL391567CHEMBL5762410CLFKFNXPIRYYMC-UHFFFAOYSA-NBDBM256835US9492453, 144-amino-N-(3-amino-1-(4-chlorophenyl)propyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide

Database identifiers

PubChem CID
57750335
ChEMBL
CHEMBL5762410

Properties

Computed structural properties

XLogP
1.4
Topological polar surface area
126 Ų
Hydrogen bond donors
4
Hydrogen bond acceptors
6
Rotatable bonds
6
Heavy atoms
30

Related reactions

2 records
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Compound notes

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