Responsive image

Common name

(7R,8S)-7-methyl-8-nitro-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine

IUPAC name

(7R,8S)-7-methyl-8-nitro-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine

SMILES

C1n2c([C@H]([C@@H](C1)C)N(=O)=O)ncc2

Common name

(7R,8S)-7-methyl-8-nitro-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine

IUPAC name

(7R,8S)-7-methyl-8-nitro-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine

SMILES

C1n2c([C@H]([C@@H](C1)C)N(=O)=O)ncc2

INCHI

InChI=1S/C8H11N3O2/c1-6-2-4-10-5-3-9-8(10)7(6)11(12)13/h3,5-7H,2,4H2,1H3/t6-,7?/m1/s1

FORMULA

C8H11N3O2

Responsive image

Common name

(7R,8S)-7-methyl-8-nitro-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine

IUPAC name

(7R,8S)-7-methyl-8-nitro-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine





Molecular weight

182.200

clogP

-2.013

clogS

-1.005

Frequency

0.0003





HBond Acceptor

3

HBond Donor

1

Total Polar
Surface Area

53.81

Number of Rings

2

Rotatable Bond

1

Drug ID Common name Structure CAS Compound class Therapeutic area
FDBD02028 paichongding Responsive image Insecticide Insecticide
1 , 1
FRAGNAME PDBID SIMILIRITY XSCORE SMILE HAC
1pmn_ligand_3_2.mol2 1pmn 0.574713 -6.27 C(C)C[n+]1c([C@H]2CC[N@@H+](CC2)C)[nH]cc1 15
4z9l_ligand_3_2.mol2 4z9l 0.563218 -6.25 C([n+]1c([nH]cc1)C1CC[NH2+]CC1)CC 14
4i0t_ligand_frag_1.mol2 4i0t 0.546392 -6.04 c1[nH]c[n+]2c1CCCC2 9
2ceq_ligand.mol2 2ceq 0.522124 -7.64 c12[C@@H]([C@H]([C@@H]([C@H](n1ccn2)CO)O)O)O 15
2ces_ligand.mol2 2ces 0.522124 -7.64 c12[C@@H]([C@H]([C@@H]([C@H](n1ccn2)CO)O)O)O 15
2vmf_ligand.mol2 2vmf 0.522124 -7.59 c12n([C@@H]([C@H]([C@H](O)[C@@H]2O)O)CO)ccn1 15
4re3_ligand.mol2 4re3 0.522124 -7.54 c12[C@@H]([C@H]([C@@H]([C@H](n1ccn2)CO)O)O)O 15
4re2_ligand.mol2 4re2 0.522124 -7.50 c12n([C@@H]([C@H]([C@H](O)[C@@H]2O)O)CO)ccn1 15
3d4y_ligand.mol2 3d4y 0.522124 -7.33 c12n([C@@H]([C@H]([C@H](O)[C@@H]2O)O)CO)ccn1 15
3d4z_ligand.mol2 3d4z 0.522124 -7.33 c12[C@@H]([C@H]([C@@H]([C@H](n1ccn2)CO)O)O)O 15
100 , 11