Common name
6-methyl-2-(p-tolyl)imidazo[1,2-a]pyridine
IUPAC name
6-methyl-2-(p-tolyl)imidazo[1,2-a]pyridine
SMILES
c1(ccc(cc1)C)c2cn3c(n2)ccc(c3)C
Common name
6-methyl-2-(p-tolyl)imidazo[1,2-a]pyridine
IUPAC name
6-methyl-2-(p-tolyl)imidazo[1,2-a]pyridine
SMILES
c1(ccc(cc1)C)c2cn3c(n2)ccc(c3)C
INCHI
InChI=1S/C15H14N2/c1-11-3-6-13(7-4-11)14-10-17-9-12(2)5-8-15(17)16-14/h3-10H,1-2H3
FORMULA
C15H14N2
Common name
6-methyl-2-(p-tolyl)imidazo[1,2-a]pyridine
IUPAC name
6-methyl-2-(p-tolyl)imidazo[1,2-a]pyridine
Molecular weight
225.309
clogP
1.570
clogS
-3.814
Frequency
0.0003
HBond Acceptor
0
HBond Donor
1
Total PolarSurface Area
15.91
Number of Rings
3
Rotatable Bond
1
| 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 |
|---|---|---|---|---|---|
| 4hvs_ligand.mol2 | 4hvs | 0.503401 | -10.71 | c1cnc2[nH]cc(c2c1)Cc1cnc(cc1)NCc1ccc(cc1)C(F)(F)F | 29 |
| 4hvs_ligand_3_16.mol2 | 4hvs | 0.495495 | -8.12 | c1(ccccc1)CNc1ncccc1 | 14 |
| 4hw7_ligand_3_31.mol2 | 4hw7 | 0.495495 | -7.62 | c1cnc(cc1)NCc1ccccc1 | 14 |
| 4nbk_ligand.mol2 | 4nbk | 0.488 | -8.12 | c1nc(NCc2ccccc2O)c(C)cc1 | 17 |
| 5al1_ligand.mol2 | 5al1 | 0.469512 | -9.85 | CC(C)(C)c1ccc(cc1)[C@@H]1NC(=O)c2cccnc2N1 | 22 |
| 5al2_ligand.mol2 | 5al2 | 0.469512 | -9.54 | CC(C)c1ccc(cc1)[C@@H]1NC(=O)c2cccnc2N1 | 21 |
| 4zxy_ligand.mol2 | 4zxy | 0.46875 | -9.75 | [C@@H]1(C(=O)NCc2cccc(c2)NC(=O)CCCc2ccc1cc2)Nc1ccc2c(nccc2c1)N | 36 |
| 2pks_ligand.mol2 | 2pks | 0.460993 | -9.29 | Cc1cccc(c1)C(=O)c1ccnc(NCc2ccc(cc2)C(=[NH2+])N)c1 | 27 |
| 4awp_ligand.mol2 | 4awp | 0.457317 | -12.09 | Cc1cc(C(=O)N)c(C)cc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2c1ccc(cn1)C(=O)NCc1ccccc1 | 39 |
| 4x3r_ligand_4_286.mol2 | 4x3r | 0.455882 | -6.34 | C(=O)(N(C)C)c1ccc(nc1)N1CC[NH2+]CC1 | 17 |
100 ,
11
