tert-butyl 4-{4-[1-(benzylamino)-1H-pyrrolo[3,2-b]pyridin-6-yl]-1H-pyrazol-1-yl}piperidine-1-carboxylate
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Basic information
- Standard SMILES
CC(C)(C)OC(=O)N1CCC(n2cc(-c3cnc4ccn(NCc5ccccc5)c4c3)cn2)CC1- InChIKey
JFLCGDXHVVWKFP-UHFFFAOYSA-N- Molecular formula
- C27H32N6O2
- Average molar mass
- 472.6 g/mol
Names & identifiers
- Preferred name
- tert-butyl 4-{4-[1-(benzylamino)-1H-pyrrolo[3,2-b]pyridin-6-yl]-1H-pyrazol-1-yl}piperidine-1-carboxylate
- IUPAC
- tert-butyl 4-[4-[1-(benzylamino)pyrrolo[3,2-b]pyridin-6-yl]pyrazol-1-yl]piperidine-1-carboxylate
Names & synonyms
SCHEMBL2574234JFLCGDXHVVWKFP-UHFFFAOYSA-NDB-0922571229458-02-9tert-butyl 4-{4-[1-(benzylamino)-1H-pyrrolo[3,2-b]pyridin-6-yl]-1H-pyrazol-1-yl}piperidine-1-carboxylate
Database identifiers
- PubChem CID
- 67458095
Properties
Computed structural propertiesFilling in
- XLogP
- 4.2
- Topological polar surface area
- 77.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 700
Related reactions
4 records
Compound notes
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