N-[(1S,2S)-2-[[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoro-pyrimidin-4-yl]amino]cyclohexyl]acetamide

HCID 68007331
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Basic information

Standard SMILES
CC(=O)N[C@H]1CCCC[C@@H]1Nc1nc(-c2c[nH]c3ncc(Cl)cc23)ncc1F
InChIKey
YYAILOHGASAIPL-HOTGVXAUSA-N
Molecular formula
C19H20ClFN6O
Average molar mass
402.9 g/mol

Names & identifiers

Preferred name
N-[(1S,2S)-2-[[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoro-pyrimidin-4-yl]amino]cyclohexyl]acetamide
IUPAC
N-[(1S,2S)-2-[[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]amino]cyclohexyl]acetamide

Names & synonyms

CHEMBL3317980SCHEMBL10007082YYAILOHGASAIPL-HOTGVXAUSA-NBDBM50050759N-[(1S,2S)-2-[[2-(5-chloro-1H-pyrrolo[2,3-b]pyri din-3-yl)-5-fluoro-pyrimidin-4-yl]amino]cyclohexyl]acetamideN-[(1S,2S)-2-[[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoro-pyrimidin-4-yl]amino]cyclohexyl]acetamide

Database identifiers

PubChem CID
68007331
ChEMBL
CHEMBL3317980

Properties

Computed structural properties

XLogP
3
Topological polar surface area
95.6 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
6
Rotatable bonds
4
Heavy atoms
28

Related reactions

2 records
New reaction record

Compound notes

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