2-((R)-1-hydroxy-3-methylbutan-2-ylamino)-4-(5-methyl-1-tosyl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidine-5-carbonitrile

HCID 59414547

Basic information

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

Names & identifiers

Preferred name
2-((R)-1-hydroxy-3-methylbutan-2-ylamino)-4-(5-methyl-1-tosyl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidine-5-carbonitrile
IUPAC
2-[[(2R)-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

SCHEMBL3500774YHVVLTNYRIYLNT-QFIPXVFZSA-N2-((R)-1-hydroxy-3-methylbutan-2-ylamino)-4-(5-methyl-1-tosyl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidine-5-carbonitrile

Database identifiers

PubChem CID
59414547

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

3 records

Linked notes

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