(R)-tert-butyl 1-(5-chloro-3-propionamido-1H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-3-ylcarbamate
Basic information
- Standard SMILES
CCC(=O)Nc1c[nH]c2ncc(Cl)c(N3CCC[C@@H](NC(=O)OC(C)(C)C)C3)c12- InChIKey
OJZWMBBSDAJRSP-GFCCVEGCSA-N- Molecular formula
- C20H28ClN5O3
- Average molar mass
- 421.9 g/mol
Names & identifiers
- Preferred name
- (R)-tert-butyl 1-(5-chloro-3-propionamido-1H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-3-ylcarbamate
- IUPAC
- tert-butyl N-[(3R)-1-[5-chloro-3-(propanoylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]piperidin-3-yl]carbamate
Names & synonyms
SCHEMBL1468738OJZWMBBSDAJRSP-GFCCVEGCSA-N(R)-tert-butyl 1-(5-chloro-3-propionamido-1H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-3-ylcarbamate
Database identifiers
- PubChem CID
- 67045346
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 99.4 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 599
Related reactions
10 records
Compound notes
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