Common name
6-methylimidazo[1,2-a]pyridine
IUPAC name
6-methylimidazo[1,2-a]pyridine
SMILES
n12ccnc1ccc(c2)C
Common name
6-methylimidazo[1,2-a]pyridine
IUPAC name
6-methylimidazo[1,2-a]pyridine
SMILES
n12ccnc1ccc(c2)C
INCHI
InChI=1S/C8H8N2/c1-7-2-3-8-9-4-5-10(8)6-7/h2-6H,1H3
FORMULA
C8H8N2
Common name
6-methylimidazo[1,2-a]pyridine
IUPAC name
6-methylimidazo[1,2-a]pyridine
Molecular weight
133.170
clogP
0.359
clogS
-1.685
Frequency
0.0003
HBond Acceptor
0
HBond Donor
1
Total PolarSurface Area
19.89
Number of Rings
2
Rotatable Bond
0
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD00302 | Zolpidem |
|
Hypnotics and Sedatives; GABA-A Receptor Agonists; Nervous System; Psycholeptics; Benzodiazepine Related Drugs; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 CYP2C9 Inducers; Cytochrome P-450 CYP2C19 Inducers; CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP3A4 Inhibitors; | For the short-term treatment of insomnia. |
1 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1ykr_ligand_frag_0.mol2 | 1ykr | 0.824561 | -6.82 | c1(c[n+]2c(cc1)[nH]cc2)C=O | 11 |
| 2vf6_ligand_frag_1.mol2 | 2vf6 | 0.723404 | -6.67 | c1c[nH]c2cccc[n+]12 | 9 |
| 3cgf_ligand_frag_2.mol2 | 3cgf | 0.723404 | -6.53 | c1[n+]2c(cccc2)[nH]c1 | 9 |
| 3cgo_ligand_frag_5.mol2 | 3cgo | 0.723404 | -5.96 | c1[n+]2ccccc2[nH]c1 | 9 |
| 4o28_ligand_1_1.mol2 | 4o28 | 0.652778 | -7.30 | CNC(=O)c1ccc2[n+](c1)cc[nH]2 | 13 |
| 4hvs_ligand_1_0.mol2 | 4hvs | 0.637931 | -7.30 | Cc1c[nH+]c2[nH]cccc12 | 10 |
| 3c4f_ligand_1_2.mol2 | 3c4f | 0.637931 | -7.27 | Cc1c2c([nH+]c1)[nH]ccc2 | 10 |
| 4hw7_ligand_1_1.mol2 | 4hw7 | 0.637931 | -7.19 | Cc1c[nH+]c2[nH]cccc12 | 10 |
| 4hxw_ligand_frag_4.mol2 | 4hxw | 0.611111 | -5.74 | c1cnc2nccnc2c1 | 10 |
122 ,
13
