IUPAC name
5-[(dibutyl-1H-1,2,4-triazol-1-yl)methyl]-2-[2-(2H-1,2,3,4-tetrazol-5-yl)phenyl]pyridine
SMILES
CCCCC1=NN(CC2=CN=C(C=C2)C2=CC=CC=C2C2=NNN=N2)C(CCCC)=N1
Compound class
Angiotensin Receptor Antagonists; Angiotensin II Receptor Antagonists;
Therapeutic area
For the treatment of hypertension.
Common name
Forasartan
IUPAC name
5-[(dibutyl-1H-1,2,4-triazol-1-yl)methyl]-2-[2-(2H-1,2,3,4-tetrazol-5-yl)phenyl]pyridine
SMILES
CCCCC1=NN(CC2=CN=C(C=C2)C2=CC=CC=C2C2=NNN=N2)C(CCCC)=N1
INCHI
InChI=1S/C23H28N8/c1-3-5-11-21-25-22(12-6-4-2)31(28-21)16-17-13-14-20(24-15-17)18-9-7-8-10-19(18)23-26-29-30-27-23/h7-10,13-15H,3-6,11-12,16H2,1-2H3,(H,26,27,29,30)
FORMULA
C23H28N8
Common name
Forasartan
IUPAC name
5-[(dibutyl-1H-1,2,4-triazol-1-yl)methyl]-2-[2-(2H-1,2,3,4-tetrazol-5-yl)phenyl]pyridine
Molecular weight
416.522
clogP
4.957
clogS
-7.765
HBond Acceptor
6
HBond Donor
1
Total Polar Surface Area
98.06
Number of Rings
4
Rotatable Bond
10
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00007 | propane |
|
C(C)C | 0.2412 |
| FDBF00188 | tetrazole |
|
[nH]1nnnc1 | 0.0055 |
| FDBF00270 | 1H-1,2,4-triazole |
|
[nH]1ncnc1 | 0.0045 |
| FDBF02943 | 5-methyl-1H-1,2,4-triazole |
|
[nH]1ncnc1C | 0.0007 |
| FDBF02944 | 1,5-dimethyl-1,2,4-triazole |
|
n1(ncnc1C)C | 0.0003 |
| FDBF02957 | 5-butyl-1-methyl-1,2,4-triazole |
|
n1(ncnc1CCCC)C | 0.0003 |
| FDBF02958 | 3-butyl-5-methyl-1H-1,2,4-triazole |
|
[nH]1nc(nc1C)CCCC | 0.0003 |
| FDBF02959 | 3-ethyl-1,5-dimethyl-1,2,4-triazole |
|
n1(nc(nc1C)CC)C | 0.0003 |
| FDBF02961 | 5-ethyl-1,3-dimethyl-1,2,4-triazole |
|
n1(nc(nc1CC)C)C | 0.0003 |
| FDBF02973 | 3-[(5-ethyl-3-methyl-1,2,4-triazol-1-yl)methyl]pyridine |
|
n1(nc(nc1CC)C)Cc2cnccc2 | 0.0003 |
40 ,
5
