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Basic information
- Standard SMILES
COCC(=O)Nc1c[nH]c2ncc(Br)c(N3CCCC(C)(NC(=O)OC(C)(C)C)C3)c12- InChIKey
YXIIFSBFBRPBOT-UHFFFAOYSA-N- Molecular formula
- C21H30BrN5O4
- Average molar mass
- 496.4 g/mol
- Monoisotopic mass
- 495.14812
Names & identifiers
- Preferred name
- tert-butyl 1-(5-bromo-3-(2-methoxyacetamido)-1H-pyrrolo[2,3-b]pyridin-4-yl)-3-methylpiperidin-3-ylcarbamate
- IUPAC
- tert-butyl N-[1-[5-bromo-3-[(2-methoxyacetyl)amino]-1H-pyrrolo[2,3-b]pyridin-4-yl]-3-methylpiperidin-3-yl]carbamate
Names & synonyms
SCHEMBL1468088YXIIFSBFBRPBOT-UHFFFAOYSA-Ntert-butyl 1-(5-bromo-3-(2-methoxyacetamido)-1H-pyrrolo[2,3-b]pyridin-4-yl)-3-methylpiperidin-3-ylcarbamate
Database identifiers
- PubChem CID
- 60205373
Properties
Computed structural propertiesFilling in
- XLogP
- 2.6
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 660
Related reactions
5 records
Compound notes
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