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]1N- InChIKey
WIZPNRPXAIHHAG-BATZWCAYSA-N- Molecular formula
- C29H32F3N5O3
- Average molar mass
- 555.6 g/mol
- Monoisotopic mass
- 555.24572439
Names & identifiers
- Preferred name
- tert-butyl ((1R,2R,3S,5R)-2-amino-5-(3-(6-(2,6-difluorophenyl)-5-fluoropicolinamido)pyridin-4-yl)-3-methylcyclohexyl)carbamate
- IUPAC
- tert-butyl N-[(1R,2R,3S,5R)-2-amino-5-[3-[[6-(2,6-difluorophenyl)-5-fluoropyridine-2-carbonyl]amino]-4-pyridinyl]-3-methylcyclohexyl]carbamate
Names & synonyms
SCHEMBL15588812WIZPNRPXAIHHAG-BATZWCAYSA-N(+/-)-tert-butyl ((1R,2R,3S,5R)-2-amino-5-(3-(6-(2,6-difluorophenyl)-5-fluoropicolinamido)pyridin-4-yl)-3-methylcyclohexyl)carbamate(+/-)-tert-butyl (1R,2R,3S,5R)-2-amino-5-(3-(6-(2,6-difluorophenyl)-5-fluoropicolinamido)pyridin-4-yl)-3-methylcyclohexylcarbamatetert-butyl ((1R,2R,3S,5R)-2-amino-5-(3-(6-(2,6-difluorophenyl)-5-fluoropicolinamido)pyridin-4-yl)-3-methylcyclohexyl)carbamate
Database identifiers
- PubChem CID
- 86705240
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 119 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 7
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 866
Related reactions
6 records
Compound notes
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