Basic information
- Standard SMILES
CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3nc4c(N5CCN(Cc6cscn6)CC5)c(Br)cnc4[nH]3)cc2)CC1- InChIKey
PMLPCXLSPZBHEI-UHFFFAOYSA-N- Molecular formula
- C30H37BrN8O2S
- Average molar mass
- 653.6 g/mol
- Monoisotopic mass
- 652.19436
Names & identifiers
- Preferred name
- tert-Butyl 4-(4-(6-bromo-7-(4-(thiazol-4-ylmethyl)piperazin-1-yl)-3H-imidazo[4,5-b]pyridin-2-yl)benzyl)piperazine-1-carboxylate
- IUPAC
- tert-butyl 4-[[4-[6-bromo-7-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]methyl]piperazine-1-carboxylate
Names & synonyms
PMLPCXLSPZBHEI-UHFFFAOYSA-Ntert-Butyl 4-(4-(6-bromo-7-(4-(thiazol-4-ylmethyl)piperazin-1-yl)-3H-imidazo[4,5-b]pyridin-2-yl)benzyl)piperazine-1-carboxylate
Database identifiers
- PubChem CID
- 86634664
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 122 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 8
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 889
Related reactions
1 records
Compound notes
Loading…