tert-butyl ((1S,3R,5S)-3-(3-(6-bromo-5-fluoropicolinamido)pyridin-4-yl)-5-methylcyclohexyl)carbamate

HCID 86639735

Basic information

Standard SMILES
C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)C[C@H](c2ccncc2NC(=O)c2ccc(F)c(Br)n2)C1
InChIKey
POHRUBPTRZGVOK-ZNMIVQPWSA-N
Molecular formula
C23H28BrFN4O3
Average molar mass
507.4 g/mol

Names & identifiers

Preferred name
tert-butyl ((1S,3R,5S)-3-(3-(6-bromo-5-fluoropicolinamido)pyridin-4-yl)-5-methylcyclohexyl)carbamate
IUPAC
tert-butyl N-[(1S,3R,5S)-3-[3-[(6-bromo-5-fluoropyridine-2-carbonyl)amino]-4-pyridinyl]-5-methylcyclohexyl]carbamate

Names & synonyms

SCHEMBL15613767POHRUBPTRZGVOK-ZNMIVQPWSA-Ntert-butyl ((1S,3R,5S)-3-(3-(6-bromo-5-fluoropicolinamido)pyridin-4-yl)-5-methylcyclohexyl)carbamatetert-butyl (1S,3R,5S)-3-(3-(6-bromo-5-fluoropicolinamido)pyridin-4-yl)-5-methylcyclohexylcarbamate

Database identifiers

PubChem CID
86639735

Properties

Computed structural properties

XLogP
4.7
Topological polar surface area
93.2 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
6
Rotatable bonds
6
Heavy atoms
32

Related reactions

6 records

Compound notes

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