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Basic information
- Standard SMILES
O=S(=O)(c1ccccc1)n1cc(-c2cc(Cl)nc(NC3CCCCC3)c2)c2cc(Nc3ccccc3)cnc21- InChIKey
VEIPRQIVNKNNQZ-UHFFFAOYSA-N- Molecular formula
- C30H28ClN5O2S
- Average molar mass
- 558.1 g/mol
- Monoisotopic mass
- 557.165224
Names & identifiers
- Preferred name
- 3-(2-chloro-6-(cyclohexylamino)pyridin-4-yl)-N-phenyl-1-(phenylsulfonyl)-1H-pyrrolo[2,3-b]pyridin-5-amine
- IUPAC
- 1-(benzenesulfonyl)-3-[2-chloro-6-(cyclohexylamino)-4-pyridinyl]-N-phenylpyrrolo[2,3-b]pyridin-5-amine
Names & synonyms
SCHEMBL1051749VEIPRQIVNKNNQZ-UHFFFAOYSA-N3-(2-chloro-6-(cyclohexylamino)pyridin-4-yl)-N-phenyl-1-(phenylsulfonyl)-1H-pyrrolo[2,3-b]pyridin-5-amine
Database identifiers
- PubChem CID
- 87192597
Properties
Computed structural propertiesFilling in
- XLogP
- 7.7
- Topological polar surface area
- 97.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 884
Related reactions
1 records
Compound notes
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