Basic information
- Standard SMILES
Cc1cn([C@H]2[C@@H](C)CN(c3ccncc3NC(=O)c3ccc(F)c(-c4c(F)cccc4F)n3)C[C@H]2NC(=O)OC(C)(C)C)nn1- InChIKey
BNSHOOPDEMUOMH-JGSUCVCASA-N- Molecular formula
- C31H33F3N8O3
- Average molar mass
- 622.6 g/mol
Names & identifiers
- Preferred name
- tert-butyl (3R,4S,5S)-1-(3-(6-(2,6-difluorophenyl)-5-fluoropicolinamido)pyridin-4-yl)-5-methyl-4-(4-methyl-1H-1,2,3-triazol-1-yl)piperidin-3-ylcarbamate
- IUPAC
- tert-butyl N-[(3R,4S,5S)-1-[3-[[6-(2,6-difluorophenyl)-5-fluoropyridine-2-carbonyl]amino]-4-pyridinyl]-5-methyl-4-(4-methyltriazol-1-yl)piperidin-3-yl]carbamate
Names & synonyms
SCHEMBL15588823BNSHOOPDEMUOMH-JGSUCVCASA-Ntert-butyl (3R,4S,5S)-1-(3-(6-(2,6-difluorophenyl)-5-fluoropicolinamido)pyridin-4-yl)-5-methyl-4-(4-methyl-1H-1,2,3-triazol-1-yl)piperidin-3-ylcarbamate
Database identifiers
- PubChem CID
- 86705274
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 127 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 8
- Heavy atoms
- 45
- Formal charge
- 0
- Complexity
- 1,010
Related reactions
2 records
Compound notes
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