Basic information
- Standard SMILES
Cn1c2c(c3ccc(-n4ccc(OCc5ccc(F)cn5)cc4=O)nc31)CCN(C(=O)OC(C)(C)C)CC2- InChIKey
YQHBAGCCBUOMPH-UHFFFAOYSA-N- Molecular formula
- C28H30FN5O4
- Average molar mass
- 519.6 g/mol
Names & identifiers
- Preferred name
- tert-butyl 2-(4-((5-fluoropyridin-2-yl)methoxy)-2-oxopyridin-1(2H)-yl)-10-methyl-5,8,9,10-tetrahydropyrido[3',2':4,5]pyrrolo[2,3-d]azepine-7(6H)-carboxylate
- IUPAC
- tert-butyl 5-[4-[(5-fluoro-2-pyridinyl)methoxy]-2-oxo-1-pyridinyl]-8-methyl-6,8,12-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5-tetraene-12-carboxylate
Names & synonyms
SCHEMBL1007503YQHBAGCCBUOMPH-UHFFFAOYSA-Ntert-butyl 2-(4-((5-fluoropyridin-2-yl)methoxy)-2-oxopyridin-1(2H)-yl)-10-methyl-5,8,9,10-tetrahydropyrido[3',2':4,5]pyrrolo[2,3-d]azepine-7(6H)-carboxylate
Database identifiers
- PubChem CID
- 58093352
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 89.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 952
Related reactions
2 records
Compound notes
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