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Basic information
- Standard SMILES
CC(C)(C)OC(=O)NCc1ccc(-c2nc3c(N4CCN(Cc5cccnc5)CC4)c(Br)cnc3[nH]2)cc1- InChIKey
BPOZTRAPMGCJSI-UHFFFAOYSA-N- Molecular formula
- C28H32BrN7O2
- Average molar mass
- 578.5 g/mol
- Monoisotopic mass
- 577.18009
Names & identifiers
- Preferred name
- Tert-butyl 4-(6-bromo-7-(4-(pyridin-3-ylmethyl)piperazin-1-yl)-3h-imidazo[4,5-b]pyridin-2-yl)benzylcarbamate
- IUPAC
- tert-butyl N-[[4-[6-bromo-7-[4-(pyridin-3-ylmethyl)piperazin-1-yl]-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]methyl]carbamate
Names & synonyms
SCHEMBL211207BPOZTRAPMGCJSI-UHFFFAOYSA-Ntert-butyl 4-(6-bromo-7-(4-(pyridin-3-ylmethyl)piperazin-1-yl)-3h-imidazo[4,5-b]pyridin-2-yl)benzylcarbamate
Database identifiers
- PubChem CID
- 57897129
Properties
Computed structural propertiesFilling in
- XLogP
- 4
- Topological polar surface area
- 99.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 767
Related reactions
1 records
Compound notes
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