Basic information
- Standard SMILES
Cc1ccc(S(=O)(=O)n2ccc3c(N(C)C4CN(Cc5ccccc5)CCC4C)ncnc32)cc1- InChIKey
GWMBPMUFLFJILW-UHFFFAOYSA-N- Molecular formula
- C27H31N5O2S
- Average molar mass
- 489.6 g/mol
Names & identifiers
- Preferred name
- N-(1-Benzyl-4-methylpiperidin-3-yl)-N-methyl-7-tosyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
- IUPAC
- N-(1-benzyl-4-methylpiperidin-3-yl)-N-methyl-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-amine
Names & synonyms
N-(1-Benzyl-4-methylpiperidin-3-yl)-N-methyl-7-tosyl-7H-pyrrolo[2,3-d]pyrimidin-4-amineC27H31N5O2SSCHEMBL1374052GWMBPMUFLFJILW-UHFFFAOYSA-NN-((3R,4R)-1-benzyl-4-methylpiperidin-3-yl)-N-methyl-7-tosyl- 7H-pyrrolo[2,3-d]pyrimidin-4-amineSB41069DB-092056(1-benzyl-4-methyl-piperidin-3-yl)-methyl-[7-(toluene-4-sulfonyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-amine1252883-87-6N-(1-benzyl-4-methyl-3-piperidyl)-N-methyl-7-(p-tolylsulfonyl)pyrrolo[2,3-d]pyrimidin-4-amineN-(1-benzyl-4-methylpiperidin-3-yl)-N-methyl-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-amine
Database identifiers
- PubChem CID
- 67010145
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 79.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 790
Related reactions
9 records
Compound notes
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