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
- Formal charge
- 0
- Complexity
- 862
Related reactions
3 records
Linked notes
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