Basic information
- Standard SMILES
C[C@@H]1C[C@H](c2ccncc2NC(=O)c2ccc(F)c(-c3c(F)cccc3F)n2)C[C@H](NC(=O)OC(C)(C)C)[C@@H]1C#N- InChIKey
QXYWGPMZHNMYOT-JKWQRXEQSA-N- Molecular formula
- C30H30F3N5O3
- Average molar mass
- 565.6 g/mol
Names & identifiers
- Preferred name
- tert-butyl (1S,2R,3R,5S)-2-cyano-5-(3-(6-(2,6-difluorophenyl)-5-fluoropicolinamido)pyridin-4-yl)-3-methylcyclohexylcarbamate
- IUPAC
- tert-butyl N-[(1S,2R,3R,5S)-2-cyano-5-[3-[[6-(2,6-difluorophenyl)-5-fluoropyridine-2-carbonyl]amino]-4-pyridinyl]-3-methylcyclohexyl]carbamate
Names & synonyms
SCHEMBL15589072QXYWGPMZHNMYOT-JKWQRXEQSA-Ntert-butyl (1S,2R,3R,5S)-2-cyano-5-(3-(6-(2,6-difluorophenyl)-5-fluoropicolinamido)pyridin-4-yl)-3-methylcyclohexylcarbamate
Database identifiers
- PubChem CID
- 86705266
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 117 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 7
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 961
Related reactions
2 records
Compound notes
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