tert-butyl ((1S,4S)-4-(2-hydroxy-2-(1-methyl-1H-pyrazol-5-yl)ethyl)-4-(3-(trifluoromethyl)-5,6,7,8-tetrahydro-1,6-naphthyridine-6-carbonyl)cyclopent-2-en-1-yl)carbamate
Basic information
- Standard SMILES
Cn1nccc1C(O)C[C@]1(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C=C[C@@H](NC(=O)OC(C)(C)C)C1- InChIKey
ICIQQOWCHCCRQF-HAHAVBSDSA-N- Molecular formula
- C26H32F3N5O4
- Average molar mass
- 535.6 g/mol
- Monoisotopic mass
- 535.24063901
Names & identifiers
- Preferred name
- tert-butyl ((1S,4S)-4-(2-hydroxy-2-(1-methyl-1H-pyrazol-5-yl)ethyl)-4-(3-(trifluoromethyl)-5,6,7,8-tetrahydro-1,6-naphthyridine-6-carbonyl)cyclopent-2-en-1-yl)carbamate
- IUPAC
- tert-butyl N-[(1S,4S)-4-[2-hydroxy-2-(2-methylpyrazol-3-yl)ethyl]-4-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopent-2-en-1-yl]carbamate
Names & synonyms
tert-butyl ((1S,4S)-4-(2-hydroxy-2-(1-methyl-1H-pyrazol-5-yl)ethyl)-4-(3-(trifluoromethyl)-5,6,7,8-tetrahydro-1,6-naphthyridine-6-carbonyl)cyclopent-2-en-1-yl)carbamateSCHEMBL15325924
Database identifiers
- PubChem CID
- 86708136
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 7
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 910
Related reactions
1 records
Compound notes
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