Compounds

ALA4800607

Name:
4-(1H-indol-3-yl)-N-((3R,4S)-4-methylpiperidin-3-yl)-5-(trifluoromethyl)pyrShow More⌵

Mol. Formula:
C19H20F3N5

M.W.:
375.40

6 activity values

6 unique targets

Type:
Unknown

AlogP:
4.05

Polar Surface Area:
65.63

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA4800597

Name:
2-methyl-4-(3-(2-((S)-piperidin-3-ylamino)-5-(trifluoromethyl)pyrimidin-4-yShow More⌵

Mol. Formula:
C23H28F3N5O

M.W.:
447.51

6 activity values

6 unique targets

Type:
Unknown

AlogP:
4.51

Polar Surface Area:
85.86

HBA:
5

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA4800535

Name:
5-chloro-4-(5-fluoro-1H-indol-3-yl)-N-((S)-piperidin-3-yl)pyrimidin-2-amine

Mol. Formula:
C17H17ClFN5

M.W.:
345.81

6 activity values

6 unique targets

Type:
Unknown

AlogP:
3.58

Polar Surface Area:
65.63

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA4800436

Name:
N-((S)-1-ethylpiperidin-3-yl)-4-(6-(methylsulfonyl)-1H-indol-3-yl)-5-(triflShow More⌵

Mol. Formula:
C21H24F3N5O2S

M.W.:
467.52

6 activity values

6 unique targets

Type:
Unknown

AlogP:
3.94

Polar Surface Area:
90.98

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA4800364

Name:
4-(1H-indol-3-yl)-N-((S)-piperidin-3-yl)-5-(trifluoromethylthio)pyrimidin-2Show More⌵

Mol. Formula:
C18H18F3N5S

M.W.:
393.44

6 activity values

6 unique targets

Type:
Unknown

AlogP:
4.40

Polar Surface Area:
65.63

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA4800231

Name:
1-methyl-4-(3-(2-((S)-piperidin-3-ylamino)-5-(trifluoromethyl)pyrimidin-4-yShow More⌵

Mol. Formula:
C24H22F3N7

M.W.:
465.48

6 activity values

6 unique targets

Type:
Unknown

AlogP:
4.68

Polar Surface Area:
94.35

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA4800180

Name:
5-ethyl-4-(1H-indol-3-yl)-N-((S)-piperidin-3-yl)pyrimidin-2-amine

Mol. Formula:
C19H23N5

M.W.:
321.43

17 activity values

9 unique targets

Type:
Unknown

AlogP:
3.35

Polar Surface Area:
65.63

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA4799805

Name:
4-(7-methyl-1H-indol-3-yl)-N-((S)-piperidin-3-yl)-5-(trifluoromethyl)pyrimiShow More⌵

Mol. Formula:
C19H20F3N5

M.W.:
375.40

6 activity values

6 unique targets

Type:
Unknown

AlogP:
4.12

Polar Surface Area:
65.63

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA4799670

Name:
3-(2-((S)-piperidin-3-ylamino)-5-(trifluoromethyl)pyrimidin-4-yl)-1H-pyrrolShow More⌵

Mol. Formula:
C18H16F3N7

M.W.:
387.37

6 activity values

6 unique targets

Type:
Unknown

AlogP:
3.07

Polar Surface Area:
102.31

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA4799586

Name:
5-ethynyl-4-(1-methyl-1H-indol-3-yl)-N-((S)-piperidin-3-yl)pyrimidin-2-aminShow More⌵

Mol. Formula:
C20H21N5

M.W.:
331.42

6 activity values

6 unique targets

Type:
Unknown

AlogP:
2.78

Polar Surface Area:
54.77

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA4799523

Name:
5-bromo-4-(1H-indol-3-yl)-N-((R)-piperidin-3-yl)pyrimidin-2-amine

Mol. Formula:
C17H18BrN5

M.W.:
372.27

6 activity values

6 unique targets

Type:
Unknown

AlogP:
3.55

Polar Surface Area:
65.63

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA4799487

Name:
N-((3S,5R)-5-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-3-yl)-4-(1H-indoShow More⌵

Mol. Formula:
C24H21F3N8

M.W.:
478.48

6 activity values

6 unique targets

Type:
Unknown

AlogP:
4.24

Polar Surface Area:
95.82

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA4799405

Name:
5-chloro-4-(1H-indol-3-yl)-N-((S)-1-methylpiperidin-3-yl)pyrimidin-2-amine

Mol. Formula:
C18H20ClN5

M.W.:
341.85

6 activity values

6 unique targets

Type:
Unknown

AlogP:
3.78

Polar Surface Area:
56.84

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA4799169

Name:
4-(6-pentyl-1H-indol-3-yl)-N-((S)-piperidin-3-yl)-5-(trifluoromethyl)pyrimiShow More⌵

Mol. Formula:
C23H28F3N5

M.W.:
431.51

6 activity values

6 unique targets

Type:
Unknown

AlogP:
5.54

Polar Surface Area:
65.63

HBA:
4

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA4799114

Name:
N-methyl-3-(2-((S)-piperidin-3-ylamino)-5-(trifluoromethyl)pyrimidin-4-yl)-Show More⌵

Mol. Formula:
C19H21F3N6O2S

M.W.:
454.48

6 activity values

6 unique targets

Type:
Unknown

AlogP:
2.72

Polar Surface Area:
111.80

HBA:
6

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA4798932

Name:
1-methyl-3-(2-((S)-piperidin-3-ylamino)-5-(trifluoromethyl)pyrimidin-4-yl)-Show More⌵

Mol. Formula:
C19H18F3N7

M.W.:
401.40

6 activity values

6 unique targets

Type:
Unknown

AlogP:
3.08

Polar Surface Area:
91.45

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA4798916

Name:
3-(5-ethyl-2-((S)-piperidin-3-ylamino)pyrimidin-4-yl)-7-(methylsulfonyl)-1HShow More⌵

Mol. Formula:
C21H24N6O2S

M.W.:
424.53

16 activity values

9 unique targets

Type:
Unknown

AlogP:
2.63

Polar Surface Area:
123.56

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA4798775

Name:
4-(6-(3-fluorophenyl)-1H-indol-3-yl)-N-((S)-piperidin-3-yl)-5-(trifluorometShow More⌵

Mol. Formula:
C24H21F4N5

M.W.:
455.46

6 activity values

6 unique targets

Type:
Unknown

AlogP:
5.61

Polar Surface Area:
65.63

HBA:
4

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA4798558

Name:
4-(1H-indol-3-yl)-N-((S)-piperidin-3-yl)-5-vinylpyrimidin-2-amine

Mol. Formula:
C19H21N5

M.W.:
319.41

6 activity values

6 unique targets

Type:
Unknown

AlogP:
3.43

Polar Surface Area:
65.63

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA4798401

Name:
1-(4-(1H-indol-3-yl)-2-((S)-piperidin-3-ylamino)pyrimidin-5-yl)ethanol

Mol. Formula:
C19H23N5O

M.W.:
337.43

6 activity values

6 unique targets

Type:
Unknown

AlogP:
2.84

Polar Surface Area:
85.86

HBA:
5

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.59

DETAILS