(S)-4-amino-N-(1-(4-chlorophenyl)-3-hydroxypropyl)-1-(1H-pyrazolo[3,4-d]pyrimidin-4-yl)piperidine-4-carboxamide

HCID 57750415
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Basic information

Standard SMILES
NC1(C(=O)N[C@@H](CCO)c2ccc(Cl)cc2)CCN(c2ncnc3[nH]ncc23)CC1
InChIKey
OPBCGEVKEZMKBI-INIZCTEOSA-N
Molecular formula
C20H24ClN7O2
Average molar mass
429.9 g/mol

Names & identifiers

Preferred name
(S)-4-amino-N-(1-(4-chlorophenyl)-3-hydroxypropyl)-1-(1H-pyrazolo[3,4-d]pyrimidin-4-yl)piperidine-4-carboxamide
IUPAC
4-amino-N-[(1S)-1-(4-chlorophenyl)-3-hydroxypropyl]-1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidine-4-carboxamide

Names & synonyms

SCHEMBL387665CHEMBL5800023OPBCGEVKEZMKBI-INIZCTEOSA-NBDBM256840US9492453, 20(S)-4-amino-N-(1-(4-chlorophenyl)-3-hydroxypropyl)-1-(1H-pyrazolo[3,4-d]pyrimidin-4-yl)piperidine-4-carboxamide

Database identifiers

PubChem CID
57750415
ChEMBL
CHEMBL5800023

Properties

Computed structural properties

XLogP
1.2
Topological polar surface area
133 Ų
Hydrogen bond donors
4
Hydrogen bond acceptors
7
Rotatable bonds
6
Heavy atoms
30

Related reactions

1 records
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Compound notes

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