IUPAC name
3-{1-methyl-7-oxo-3-propyl-1H,4H,7H-pyrazolo[4,3-d]pyrimidin-5-yl}-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-4-propoxybenzene-1-sulfonamide
SMILES
CCCOC1=C(C=C(C=C1)S(=O)(=O)NCCC1CCCN1C)C1=NC(=O)C2=C(N1)C(CCC)=NN2C
Compound class
Genito Urinary System and Sex Hormones; Drugs Used in Erectile Dysfunction; Urological Agents; CYP3A4 Inhibitors;
Therapeutic area
Investigated for use/treatment in erectile dysfunction and hypertension.
Common name
Udenafil
IUPAC name
3-{1-methyl-7-oxo-3-propyl-1H,4H,7H-pyrazolo[4,3-d]pyrimidin-5-yl}-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-4-propoxybenzene-1-sulfonamide
SMILES
CCCOC1=C(C=C(C=C1)S(=O)(=O)NCCC1CCCN1C)C1=NC(=O)C2=C(N1)C(CCC)=NN2C
INCHI
InChI=1S/C25H36N6O4S/c1-5-8-20-22-23(31(4)29-20)25(32)28-24(27-22)19-16-18(10-11-21(19)35-15-6-2)36(33,34)26-13-12-17-9-7-14-30(17)3/h10-11,16-17,26H,5-9,12-15H2,1-4H3,(H,27,28,32)
FORMULA
C25H36N6O4S
Common name
Udenafil
IUPAC name
3-{1-methyl-7-oxo-3-propyl-1H,4H,7H-pyrazolo[4,3-d]pyrimidin-5-yl}-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-4-propoxybenzene-1-sulfonamide
Molecular weight
516.656
clogP
3.379
clogS
-7.024
HBond Acceptor
7
HBond Donor
2
Total Polar Surface Area
122.21
Number of Rings
4
Rotatable Bond
11
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00006 | phenol |
|
c1ccc(cc1)O | 0.0897 |
| FDBF00018 | propan-1-ol |
|
C(O)CC | 0.0330 |
| FDBF00211 | anisole |
|
COc1ccccc1 | 0.0423 |
| FDBF00279 | (dihydroxy-λ3-sulfanyl)benzene |
|
[S](O)(O)c1ccccc1 | 0.0052 |
| FDBF00577 | N-(dihydroxy-λ3-sulfanyl)ethanamine |
|
CCN[S](O)O | 0.0024 |
| FDBF00602 | (2S)-2-ethyl-1-methyl-pyrrolidine |
|
C(C1N(CCC1)C)C | 0.0007 |
| FDBF03424 | 1-(dihydroxy-λ3-sulfanyl)-4-methoxy-benzene |
|
COc1ccc(cc1)[S](O)O | 0.0003 |
| FDBF03425 | N-ethylbenzenesulfonamide |
|
CCNS(=O)(=O)c1ccccc1 | 0.0007 |
