Basic information
- Standard SMILES
CC(=O)OCc1c(-c2cc(Nc3ccc4c(n3)CCN(C)C4)c(=O)n(C)c2)cc(F)cc1N1CCn2c(cc3c2CCCC3)C1=O- InChIKey
AHKRXMNGCGOWHP-UHFFFAOYSA-N- Molecular formula
- C35H37FN6O4
- Average molar mass
- 624.7 g/mol
Names & identifiers
- Preferred name
- 4-Fluoro-2-(1-methyl-5-(6-methyl-5,6,7,8-tetrahydro-1,6-naphthyridin-2-ylamino)-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
- [4-fluoro-2-[1-methyl-5-[(6-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)amino]-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
SCHEMBL1393559AHKRXMNGCGOWHP-UHFFFAOYSA-N4-Fluoro-2-(1-methyl-5-(6-methyl-5,6,7,8-tetrahydro-1,6-naphthyridin-2-ylamino)-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
- 67016367
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 100 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 7
- Heavy atoms
- 46
- Formal charge
- 0
- Complexity
- 1,260
Related reactions
2 records
Compound notes
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