IUPAC name
N-{3-[(1R)-1-[(2R)-6-hydroxy-4-oxo-2-(2-phenylethyl)-2-propyl-3,4-dihydro-2H-pyran-5-yl]propyl]phenyl}-5-(trifluoromethyl)pyridine-2-sulfonamide
SMILES
CCC[C@@]1(CCC2=CC=CC=C2)CC(=O)C([C@H](CC)C2=CC(NS(=O)(=O)C3=NC=C(C=C3)C(F)(F)F)=CC=C2)=C(O)O1
Compound class
Anti-HIV Agents; Protease Inhibitors; Antiinfectives for Systemic Use; Direct Acting Antivirals; Antivirals for Systemic Use; Cytochrome P-450 CYP2C19 Inducers; CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP3A4 Inhibitors;
Therapeutic area
For combination antiretroviral treatment of HIV-1 infected adult patients with evidence of viral replication, who are highly treatment-experienced or have HIV-1 strains resistant to multiple protease inhibitors.
Common name
Tipranavir
IUPAC name
N-{3-[(1R)-1-[(2R)-6-hydroxy-4-oxo-2-(2-phenylethyl)-2-propyl-3,4-dihydro-2H-pyran-5-yl]propyl]phenyl}-5-(trifluoromethyl)pyridine-2-sulfonamide
SMILES
CCC[C@@]1(CCC2=CC=CC=C2)CC(=O)C([C@H](CC)C2=CC(NS(=O)(=O)C3=NC=C(C=C3)C(F)(F)F)=CC=C2)=C(O)O1
INCHI
InChI=1S/C31H33F3N2O5S/c1-3-16-30(17-15-21-9-6-5-7-10-21)19-26(37)28(29(38)41-30)25(4-2)22-11-8-12-24(18-22)36-42(39,40)27-14-13-23(20-35-27)31(32,33)34/h5-14,18,20,25,36,38H,3-4,15-17,19H2,1-2H3/t25-,30-/m1/s1
FORMULA
C31H33F3N2O5S
Common name
Tipranavir
IUPAC name
N-{3-[(1R)-1-[(2R)-6-hydroxy-4-oxo-2-(2-phenylethyl)-2-propyl-3,4-dihydro-2H-pyran-5-yl]propyl]phenyl}-5-(trifluoromethyl)pyridine-2-sulfonamide
Molecular weight
602.664
clogP
6.555
clogS
-9.048
HBond Acceptor
6
HBond Donor
2
Total Polar Surface Area
105.59
Number of Rings
4
Rotatable Bond
12
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF02067 | (6R)-6-methyltetrahydropyran-2,4-dione |
|
CC1OC(=O)CC(=O)C1 | 0.0003 |
| FDBF02068 | (6S)-6-methyltetrahydropyran-2,4-dione |
|
CC1OC(=O)CC(=O)C1 | 0.0003 |
| FDBF02073 | (6R)-6-ethyltetrahydropyran-2,4-dione |
|
C(C)C1OC(=O)CC(=O)C1 | 0.0003 |
| FDBF02077 | (3R)-3-propyltetrahydropyran-2,4-dione |
|
C(C1C(=O)CCOC1=O)CC | 0.0003 |
| FDBF02078 | (3R)-3-benzyltetrahydropyran-2,4-dione |
|
C(C1C(=O)CCOC1=O)c2ccccc2 | 0.0003 |
| FDBF02083 | (3R)-3,6,6-trimethyltetrahydropyran-2,4-dione |
|
CC1(OC(=O)C(C(=O)C1)C)C | 0.0003 |
| FDBF02089 | N-(dihydroxy-λ3-sulfanyl)-3-methyl-aniline |
|
[S](O)(O)Nc1cc(ccc1)C | 0.0003 |
| FDBF02090 | (3R,6S)-3-benzyl-6-methyl-tetrahydropyran-2,4-dione |
|
CC1OC(=O)C(C(=O)C1)Cc2ccccc2 | 0.0003 |
| FDBF02093 | (3R,6S)-3,6-dimethyl-6-propyl-tetrahydropyran-2,4-dione |
|
CC1(OC(=O)C(C(=O)C1)C)CCC | 0.0003 |
| FDBF02095 | (3R,6R)-6-ethyl-3-propyl-tetrahydropyran-2,4-dione |
|
C(C)C1OC(=O)C(C(=O)C1)CCC | 0.0003 |
