(S)-4-(2-amino-4-chloro-7-((4-methoxy-3,5-dimethylpyridin-2-yl)methyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl)but-3-yne-1,2-diol

HCID 57713836
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Basic information

Standard SMILES
COc1c(C)cnc(Cn2cc(C#C[C@H](O)CO)c3c(Cl)nc(N)nc32)c1C
InChIKey
HNOKOAYVTDGCLS-ZDUSSCGKSA-N
Molecular formula
C19H20ClN5O3
Average molar mass
401.8 g/mol

Names & identifiers

Preferred name
(S)-4-(2-amino-4-chloro-7-((4-methoxy-3,5-dimethylpyridin-2-yl)methyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl)but-3-yne-1,2-diol
IUPAC
(2S)-4-[2-amino-4-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolo[2,3-d]pyrimidin-5-yl]but-3-yne-1,2-diol

Names & synonyms

SCHEMBL312490HNOKOAYVTDGCLS-ZDUSSCGKSA-N(S)-4-(2-amino-4-chloro-7-((4-methoxy-3,5-dimethylpyridin-2-yl)methyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl)but-3-yne-1,2-diol

Database identifiers

PubChem CID
57713836

Properties

Computed structural properties

XLogP
1.3
Topological polar surface area
119 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
7
Rotatable bonds
5
Heavy atoms
28

Related reactions

2 records
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Compound notes

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