
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 |
---|---|---|---|---|
FDBF00005 | benzene |
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c1ccccc1 | 0.2824 |
FDBF00007 | propane |
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C(C)C | 0.2412 |
FDBF00193 | propylbenzene |
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C(c1ccccc1)CC | 0.0186 |
FDBF02066 | 2-(dihydroxy-λ3-sulfanyl)pyridine |
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n1c(cccc1)[S](O)O | 0.0003 |
FDBF02070 | N-(dihydroxy-λ3-sulfanyl)aniline |
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N([S](O)O)c1ccccc1 | 0.0014 |
FDBF02082 | (6S)-6-methyl-6-propyl-tetrahydropyran-2,4-dione |
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CC1(OC(=O)CC(=O)C1)CCC | 0.0003 |
FDBF02086 | (3R,6R)-3-benzyl-6-methyl-tetrahydropyran-2,4-dione |
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CC1OC(=O)C(C(=O)C1)Cc2ccccc2 | 0.0003 |
FDBF02088 | (3R,6S)-6-methyl-3-propyl-tetrahydropyran-2,4-dione |
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CC1OC(=O)C(C(=O)C1)CCC | 0.0003 |
FDBF02094 | (3R)-6,6-dimethyl-3-propyl-tetrahydropyran-2,4-dione |
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CC1(OC(=O)C(C(=O)C1)CCC)C | 0.0003 |
FDBF02098 | (3R,6R)-6-ethyl-6-methyl-3-propyl-tetrahydropyran-2,4-dione |
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C(C)C1(OC(=O)C(C(=O)C1)CCC)C | 0.0003 |