Table 1: Heteroaryl- and heterocyclyl-substituted imidazo[1,2-a]pyridine derivatives and their physicochemical parameters and H+/K+-ATPase inhibition activity.
(a)

141469.tab.001a

Compd    R6π oGTCI Log(1/IC50)
ObsdaCalcd, (1)Pred (LOO)

1141469.tab.001b0.560.481.001.006.57.177.27
2c141469.tab.001c0.560.491.001.008.46.97
3141469.tab.001d0.560.451.001.008.37.507.43
4 b141469.tab.001e0.560.441.001.008.17.74
5141469.tab.001f0.560.451.001.007.97.507.47
6141469.tab.001g0.560.431.001.007.47.887.99
7141469.tab.001h0.560.441.001.007.67.747.76
8c141469.tab.001i0.560.441.001.006.57.74
9141469.tab.001j0.560.461.001.006.97.367.42
10141469.tab.001k0.560.451.001.007.67.527.51
11141469.tab.001l0.560.471.001.007.57.317.30
12141469.tab.001m0.560.491.001.007.16.956.90
13141469.tab.001n0.560.451.001.007.87.507.48
14 b141469.tab.001o0.560.451.001.007.07.50
15c141469.tab.001p0.560.451.001.006.76.32

Taken from [4]. bUsed for test set. cNot included in the derivation of (1).
(b)

141469.tab.001q

Compd    R6π oGTCI Log(1/IC50)
ObsdaCalcd, (1)Pred (LOO)

16141469.tab.001r1.020.500.001.007.06.587.01
17 bH1.020.450.001.008.27.25
18141469.tab.001s1.020.450.001.007.07.237.34

Taken from [4]. bUsed for test set.
(c)

141469.tab.001t

Compd    R6π oGTCI Log(1/IC50)
ObsdaCalcd, (1)Pred (LOO)

ObsdaCalcd, (1)Pred (LOO)

19CH3CH3O0.560.451.001.007.47.507.51
20cCH3CH3CH20.560.451.001.005.97.50
21CH3HNH1.020.470.000.005.75.645.58
22 bCH2OHCH3NH0.560.451.000.005.46.30
23CH3HNH0.560.441.000.006.46.396.38
24 bCH3CH2OHNH0.560.441.000.006.96.32
25CH3ClNH0.560.451.000.006.16.186.22

Taken from [4]. bUsed for test set. cNot included in the derivation of (1).
(d)

141469.tab.001u

Compd    R6π oGTCI Log(1/IC50)
ObsdaCalcd, (1)Pred (LOO)

26 b2-Pyridone2-CH30.560.430.001.007.26.55
271,2,4-Triazole2-CH30.560.410.001.006.36.857.00
28c2-Pyridone2-Cl-4-F0.710.470.001.007.06.37
291,2,4-Triazole2-Cl-4-F0.710.450.001.006.36.546.57
302-PyridoneH0.000.400.001.005.85.785.78
312-Pyridone2-MeO0.020.420.001.005.35.435.47
322-Pyridone3-Me0.000.440.001.004.75.185.46
332-Pyridone0.000.390.001.006.25.865.78
341,2,4-Triazole0.000.370.001.006.66.206.01

Taken from [4]. b Used for test set. c Not included in the derivation of (1).