Molecules/(1R,10S,13R)-6-hydroxy-10,13-dimethyl-5,8-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-1,2,9-triazatricyclo[7.4.1.02,7]tetradeca-3,6,11-triene-4-carboxamide
(1R,10S,13R)-6-hydroxy-10,13-dimethyl-5,8-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-1,2,9-triazatricyclo[7.4.1.02,7]tetradeca-3,6,11-triene-4-carboxamide
(10S,13R)-6-hydroxy-10,13-dimethyl-5,8-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-1,2,9-triazatricyclo[7.4.1.02,7]tetradeca-3,6,11-triene-4-carboxamide
Molecular Identity
(1R,10S,13R)-6-hydroxy-10,13-dimethyl-5,8-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-1,2,9-triazatricyclo[7.4.1.02,7]tetradeca-3,6,11-triene-4-carboxamide
(10S,13R)-6-hydroxy-10,13-dimethyl-5,8-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-1,2,9-triazatricyclo[7.4.1.02,7]tetradeca-3,6,11-triene-4-carboxamide
PubChem CID: 164590400
2D Structure
Properties
C21H19F3N4O4
Molecular Formula
448.40
Molecular Weight
g/mol
448.1358
Exact Mass
Da
3.3
XLogP
Drug-like (Lipinski: < 5)
93.2
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
9
H-Bond Acceptors
924
Complexity
SMILES
Canonical SMILES
SMILES: CC1C=CC(N2CN1C(=O)C3=C(C(=O)C(=CN32)C(=O)NCC4=C(C=C(C=C4F)F)F)O)CIsomeric SMILES
SMILES: C[C@H]1C=C[C@H](N2CN1C(=O)C3=C(C(=O)C(=CN32)C(=O)NCC4=C(C=C(C=C4F)F)F)O)CSynonyms(15)
(1R,10S,13R)-6-hydroxy-10,13-dimethyl-5,8-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-1,2,9-triazatricyclo[7.4.1.02,7]tetradeca-3,6,11-triene-4-carboxamide2808219-64-7Lepetegravirlepetegravir [INN]orb3135876U7N3Q737CACHEMBL5883239SCHEMBL25413813BDBM598743US11613546, Example C24T211489(10S,13R)-6-hydroxy-10,13-dimethyl-5,8-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-1,2,9-triazatricyclo[7.4.1.02,7]tetradeca-3,6,11-triene-4-carboxamide(1R,2R,5S)-8-hydroxy-2,5-dimethyl-7,9-dioxo-N-(2,4,6-trifluorobenzyl)-2,5,7,9-tetrahydro-1,6-methanopyrido[1,2-b][1,2,5]triazonine-10-carboxamide(1R,2R,5S,6S)-8-hydroxy-2,5-dimethyl-7,9-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-2,5,7,9-tetrahydro-1,6-methanopyrido[1,2-b][1,2,5]triazonine-10-carboxamide1,6-Methanopyrido[1,2-b][1,2,5]triazonine-10-carboxamide, 2,5,7,9-tetrahydro-8-hydroxy-2,5-dimethyl-7,9-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-, (1R,2R,5S)-
Data from PubChem (NCBI)
This platform is for informational purposes only and does not constitute medical advice. Always consult a qualified healthcare professional.
Molecular Structure
(1R,10S,13R)-6-hydroxy-10,13-dimethyl-5,8-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-1,2,9-triazatricyclo[7.4.1.02,7]tetradeca-3,6,11-triene-4-carboxamide
Loading structure...
Drug Network
Trials and conditions connected to (1R,10S,13R)-6-hydroxy-10,13-dimethyl-5,8-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-1,2,9-triazatricyclo[7.4.1.02,7]tetradeca-3,6,11-triene-4-carboxamide
Loading drug network...