Basic information
- Standard SMILES
CC(=O)OCc1c(-c2cc(Nc3ccc(F)cn3)c(=O)n(C)c2)cccc1N1CCn2c(cc3c2CCCC3)C1=O- InChIKey
CKZNJHPENBCMBB-UHFFFAOYSA-N- Molecular formula
- C31H30FN5O4
- Average molar mass
- 555.6 g/mol
- Monoisotopic mass
- 555.22818262
Names & identifiers
- Preferred name
- 2-(5-(5-Fluoropyridin-2-ylamino)-1-methyl-6-oxo-1,6-dihydropyridin-3-yl)-6-(1-oxo-3,4,6,7,8,9-hexahydropyrazino[1,2-a]indol-2(1H)-yl)benzyl Acetate
- IUPAC
- [2-[5-[(5-fluoro-2-pyridinyl)amino]-1-methyl-6-oxo-3-pyridinyl]-6-(1-oxo-3,4,6,7,8,9-hexahydropyrazino[1,2-a]indol-2-yl)phenyl]methyl acetate
Names & synonyms
SCHEMBL10289831CKZNJHPENBCMBB-UHFFFAOYSA-N2-(5-(5-Fluoropyridin-2-ylamino)-1-methyl-6-oxo-1,6-dihydropyridin-3-yl)-6-(1-oxo-3,4,6,7,8,9-hexahydropyrazino[1,2-a]indol-2(1H)-yl)benzyl Acetate
Database identifiers
- PubChem CID
- 68096595
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 96.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 1,100
Related reactions
5 records
Compound notes
Loading…