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 |
|---|---|---|---|---|
| FDBF00005 | benzene |
|
c1ccccc1 | 0.2824 |
| FDBF00067 | butane |
|
CCCC | 0.0680 |
| FDBF00422 | 3-methylpyridine |
|
n1cc(ccc1)C | 0.0024 |
| FDBF02947 | 1,3-dimethyl-1,2,4-triazole |
|
n1(nc(nc1)C)C | 0.0003 |
| FDBF02950 | 3-butyl-1H-1,2,4-triazole |
|
[nH]1nc(nc1)CCCC | 0.0003 |
| FDBF02955 | 5-ethyl-3-methyl-1H-1,2,4-triazole |
|
[nH]1nc(nc1CC)C | 0.0003 |
| FDBF02964 | 3-[(3-ethyl-1,2,4-triazol-1-yl)methyl]pyridine |
|
n1(nc(nc1)CC)Cc2cnccc2 | 0.0003 |
| FDBF02968 | 5-butyl-1,3-dimethyl-1,2,4-triazole |
|
n1(nc(nc1CCCC)C)C | 0.0003 |
| FDBF02969 | 3-[(3-ethyl-5-methyl-1,2,4-triazol-1-yl)methyl]pyridine |
|
n1(nc(nc1C)CC)Cc2cnccc2 | 0.0003 |
| FDBF02971 | 5-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-2-phenyl-pyridine |
|
n1(nc(nc1C)C)Cc2cnc(cc2)c3ccccc3 | 0.0003 |
40 ,
5
