Basic information
- Standard SMILES
[N-]=[N+]=NC[C@@H](NC(=O)c1sccc1Nc1ccnc2[nH]ccc12)c1ccccc1- InChIKey
BLIAYWRRYQIAPO-QGZVFWFLSA-N- Molecular formula
- C20H17N7OS
- Average molar mass
- 403.5 g/mol
- Monoisotopic mass
- 403.12152936
Names & identifiers
- Preferred name
- 3-(1H-Pyrrolo[2,3-b]pyridin-4-ylamino)-thiophene-2-carboxylic acid ((S)-2-azido-1-phenyl-ethyl)-amide
- IUPAC
- N-[(1S)-2-azido-1-phenylethyl]-3-(1H-pyrrolo[2,3-b]pyridin-4-ylamino)thiophene-2-carboxamide
Names & synonyms
SCHEMBL13564357BLIAYWRRYQIAPO-QGZVFWFLSA-N3-(1H-Pyrrolo[2,3-b]pyridin-4-ylamino)-thiophene-2-carboxylic acid ((S)-2-azido-1-phenyl-ethyl)-amide
Database identifiers
- PubChem CID
- 86673155
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 112 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 608
Related reactions
2 records
Compound notes
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