Basic information
- Standard SMILES
Cc1ccc(S(=O)(=O)n2ccc3nc(C(C)Nc4nccc(Nc5cc(C6CC6)[nH]n5)n4)c(Cl)cc32)cc1- InChIKey
AIMHPMYANUMBOE-UHFFFAOYSA-N- Molecular formula
- C26H25ClN8O2S
- Average molar mass
- 549 g/mol
Names & identifiers
- Preferred name
- N2-(1-(6-chloro-1-tosyl-1H-pyrrolo[3,2-b]pyridin-5-yl)ethyl)-N4-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine
- IUPAC
- 2-N-[1-[6-chloro-1-(4-methylphenyl)sulfonylpyrrolo[3,2-b]pyridin-5-yl]ethyl]-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine
Names & synonyms
AIMHPMYANUMBOE-UHFFFAOYSA-NN2-(1-(6-chloro-1-tosyl-1H-pyrrolo[3,2-b]pyridin-5-yl)ethyl)-N4-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine
Database identifiers
- PubChem CID
- 86689873
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 139 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 8
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 911
Related reactions
2 records
Compound notes
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