Basic information
- Standard SMILES
CC(C)(C)OC(=O)N[C@@H]1CCCN(c2c(Br)cnc3[nH]cc(NC(=O)c4cccnc4)c23)C1- InChIKey
IASQROVDZMCNHC-OAHLLOKOSA-N- Molecular formula
- C23H27BrN6O3
- Average molar mass
- 515.4 g/mol
Names & identifiers
- Preferred name
- (R)-tert-butyl 1-(5-bromo-3-(nicotinamido)-1H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-3-ylcarbamate
- IUPAC
- tert-butyl N-[(3R)-1-[5-bromo-3-(pyridine-3-carbonylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]piperidin-3-yl]carbamate
Names & synonyms
SCHEMBL1469005IASQROVDZMCNHC-OAHLLOKOSA-N(R)-tert-butyl 1-(5-bromo-3-(nicotinamido)-1H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-3-ylcarbamate
Database identifiers
- PubChem CID
- 67045441
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 112 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 704
Related reactions
20 records
Compound notes
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