Basic information
- Standard SMILES
Cn1c2c(c3ccc(-n4ccc(-c5ccc(C(F)(F)F)nc5)cc4=O)nc31)CN(C(=O)OC(C)(C)C)CC2- InChIKey
OUHWXDZHNGOJNV-UHFFFAOYSA-N- Molecular formula
- C27H26F3N5O3
- Average molar mass
- 525.5 g/mol
Names & identifiers
- Preferred name
- tert-Butyl 9-methyl-2-(2-oxo-4-(6-(trifluoromethyl)pyridin-3-yl)pyridin-1(2H)-yl)-5,7,8,9-tetrahydro-6H-pyrido[3',4':4,5]pyrrolo[2,3-b]pyridine-6-carboxylate
- IUPAC
- tert-butyl 8-methyl-11-[2-oxo-4-[6-(trifluoromethyl)-3-pyridinyl]-1-pyridinyl]-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraene-4-carboxylate
Names & synonyms
tert-Butyl 9-methyl-2-(2-oxo-4-(6-(trifluoromethyl)pyridin-3-yl)pyridin-1(2H)-yl)-5,7,8,9-tetrahydro-6H-pyrido[3',4':4,5]pyrrolo[2,3-b]pyridine-6-carboxylateSCHEMBL9931655
Database identifiers
- PubChem CID
- 67970879
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 80.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 993
Related reactions
2 records
Compound notes
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