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Basic information
- Standard SMILES
COc1nccc2c(-c3cc(S(C)(=O)=O)ccc3NCC3CC3)cn(C)c12- InChIKey
JUPWLRLSFFYYAE-UHFFFAOYSA-N- Molecular formula
- C20H23N3O3S
- Average molar mass
- 385.5 g/mol
Names & identifiers
- Preferred name
- N-(cyclopropylmethyl)-2-(7-methoxy-1-methyl-1H-pyrrolo[2,3-c]pyridin-3-yl)-4-(methylsulfonyl)aniline
- IUPAC
- N-(cyclopropylmethyl)-2-(7-methoxy-1-methylpyrrolo[2,3-c]pyridin-3-yl)-4-methylsulfonylaniline
Names & synonyms
SCHEMBL16009540JUPWLRLSFFYYAE-UHFFFAOYSA-NN-(cyclopropylmethyl)-2-(7-methoxy-1-methyl-1H-pyrrolo[2,3-c]pyridin-3-yl)-4-(methylsulfonyl)aniline
Database identifiers
- PubChem CID
- 90387888
Properties
Computed structural propertiesFilling in
- XLogP
- 2.8
- Topological polar surface area
- 81.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 618
Related reactions
3 records
Compound notes
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