2-[(1-Hydroxy-3-methylbutan-2-yl)amino]-4-[5-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]pyrimidine-5-carbonitrile

HCID 68667635
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Basic information

Standard SMILES
Cc1ccc(S(=O)(=O)n2cc(-c3nc(NC(CO)C(C)C)ncc3C#N)c3cc(C)cnc32)cc1
InChIKey
YHVVLTNYRIYLNT-UHFFFAOYSA-N
Molecular formula
C25H26N6O3S
Average molar mass
490.6 g/mol

Names & identifiers

Preferred name
2-[(1-Hydroxy-3-methylbutan-2-yl)amino]-4-[5-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]pyrimidine-5-carbonitrile
IUPAC
2-[(1-hydroxy-3-methylbutan-2-yl)amino]-4-[5-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]pyrimidine-5-carbonitrile

Names & synonyms

SCHEMBL3500778

Database identifiers

PubChem CID
68667635

Properties

Computed structural properties

XLogP
3.9
Topological polar surface area
142 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
8
Rotatable bonds
7
Heavy atoms
35

Related reactions

1 records
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Compound notes

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