4-{(9aS)-2-(2,4-difluorobenzyl)-5-oxo-3-[(trifluoroacetyl)amino]-7,8,9,9a-tetrahydro-5H-pyrido[2,3-a]pyrrolizin-4-yl}-N-[(1R)-2,3-dihydro-1H-inden-1-yl]benzamide

HCID 10197057
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Basic information

Standard SMILES
O=C(N[C@@H]1CCc2ccccc21)c1ccc(-c2c(NC(=O)C(F)(F)F)c(Cc3ccc(F)cc3F)nc3c2C(=O)N2CCC[C@@H]32)cc1
InChIKey
FZPVDQXRMIZZOW-VPUSJEBWSA-N
Molecular formula
C35H27F5N4O3
Average molar mass
646.6 g/mol

Names & identifiers

Preferred name
4-{(9aS)-2-(2,4-difluorobenzyl)-5-oxo-3-[(trifluoroacetyl)amino]-7,8,9,9a-tetrahydro-5H-pyrido[2,3-a]pyrrolizin-4-yl}-N-[(1R)-2,3-dihydro-1H-inden-1-yl]benzamide
IUPAC
4-[(9aS)-2-[(2,4-difluorophenyl)methyl]-5-oxo-3-[(2,2,2-trifluoroacetyl)amino]-7,8,9,9a-tetrahydropyrido[2,3-a]pyrrolizin-4-yl]-N-[(1R)-2,3-dihydro-1H-inden-1-yl]benzamide

Names & synonyms

4-{(9aS)-2-(2,4-difluorobenzyl)-5-oxo-3-[(trifluoroacetyl)amino]-7,8,9,9a-tetrahydro-5H-pyrido[2,3-a]pyrrolizin-4-yl}-N-[(1R)-2,3-dihydro-1H-inden-1-yl]benzamideSCHEMBL56466914-{(9aS)-2-(2,4-difluorobenzyl)-5-oxo-3-[(trifluoroacetyl)amino]-7,8,9,9a-tetrahydro-5H-pyrido[2,3-alpha]pyrrolizin-4-yl}-N-[(1R)-2,3-dihydro-1H-inden-1-yl]benzamide

Database identifiers

PubChem CID
10197057

Properties

Computed structural properties

XLogP
5.7
Topological polar surface area
91.4 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
9
Rotatable bonds
6
Heavy atoms
47

Related reactions

1 records
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Compound notes

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