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 |
|---|---|---|---|---|
| FDBF00005 | benzene |
|
c1ccccc1 | 0.2824 |
| FDBF00007 | propane |
|
C(C)C | 0.2412 |
| FDBF00040 | ethanamine |
|
CCN | 0.0677 |
| FDBF00209 | 1-methylpyrrolidine |
|
N1(CCCC1)C | 0.0076 |
| FDBF00283 | BLAH |
|
S(=O)O | 0.0244 |
| FDBF00380 | (2S)-1,2-dimethylpyrrolidine |
|
CC1N(CCC1)C | 0.0010 |
| FDBF00576 | N-(dihydroxy-λ3-sulfanyl)methanamine |
|
CN[S](O)O | 0.0038 |
| FDBF00796 | propoxybenzene |
|
O(CCC)c1ccccc1 | 0.0062 |
| FDBF03423 | N-methylbenzenesulfonamide |
|
N(C)S(=O)(=O)c1ccccc1 | 0.0007 |
| FDBF03426 | 4-methoxy-N-methyl-benzenesulfonamide |
|
N(C)S(=O)(=O)c1ccc(cc1)OC | 0.0003 |
