Compounds

Type:
---

AlogP:
4.50

Polar Surface Area:
78.85

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA5221008

Name:
4-chloro-6-(4-(2-chlorobenzyl)-1-methyl-1H-pyrazol-3-yl)pyrimidin-2-amine

Mol. Formula:
C15H13Cl2N5

M.W.:
334.21

Type:
---

AlogP:
3.36

Polar Surface Area:
69.62

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA5220895

Name:
4-Chloro-6-[1-methyl-4-[[2-[2-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)ethoxy]Show More⌵

Mol. Formula:
C22H25ClN6O2

M.W.:
440.94

2 activity values

Type:
---

AlogP:
2.56

Polar Surface Area:
91.32

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA5220723

Name:
4-chloro-6-[1-methyl-4-[[2-(2-morpholinoethoxy)phenyl]methyl]pyrazol-3-yl]pShow More⌵

Mol. Formula:
C21H25ClN6O2

M.W.:
428.92

2 activity values

Type:
---

AlogP:
2.41

Polar Surface Area:
91.32

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA5220685

Name:
Methyl (3R)-4-[2-[2-[[3-(2-amino-6-chloro-pyrimidin-4-yl)-1-(difluoromethylShow More⌵

Mol. Formula:
C23H25ClF2N6O4

M.W.:
522.94

Type:
---

AlogP:
2.81

Polar Surface Area:
117.62

HBA:
10

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA5220647

Name:
[(3S)-4-[2-[2-[[3-(2-amino-6-chloro-pyrimidin-4-yl)-1-(difluoromethyl)pyrazShow More⌵

Mol. Formula:
C22H25ClF2N6O3

M.W.:
494.93

Type:
---

AlogP:
2.63

Polar Surface Area:
111.55

HBA:
9

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA5220632

Name:
2-[2-[[3-(2-amino-6-chloro-pyrimidin-4-yl)-1-(difluoromethyl)pyrazol-4-yl]mShow More⌵

Mol. Formula:
C21H21ClF2N6O3

M.W.:
478.89

Type:
---

AlogP:
2.80

Polar Surface Area:
108.39

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA5220347

Name:
4-chloro-6-[1-methyl-4-[[2-[2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)ethoxy]phenShow More⌵

Mol. Formula:
C22H25ClN6O2

M.W.:
440.94

Type:
---

AlogP:
2.41

Polar Surface Area:
91.32

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA5220308

Name:
4-(4-benzyl-1-(trifluoromethyl)-1H-pyrazol-3-yl)-6-chloropyrimidin-2-amine

Mol. Formula:
C15H11ClF3N5

M.W.:
353.74

Type:
---

AlogP:
3.64

Polar Surface Area:
69.62

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA5220138

Name:
4-chloro-6-(4-(4-chlorobenzyl)-1-methyl-1H-pyrazol-3-yl)pyrimidin-2-amine

Mol. Formula:
C15H13Cl2N5

M.W.:
334.21

Type:
---

AlogP:
3.36

Polar Surface Area:
69.62

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA5220075

Name:
4-chloro-6-(4-(2-methoxybenzyl)-1-methyl-1H-pyrazol-3-yl)pyrimidin-2-amine

Mol. Formula:
C16H16ClN5O

M.W.:
329.79

Type:
---

AlogP:
2.71

Polar Surface Area:
78.85

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA5219933

Name:
methyl 3-((3-(2-amino-6-chloropyrimidin-4-yl)-1-methyl-1H-pyrazol-4-yl)methShow More⌵

Mol. Formula:
C17H16ClN5O2

M.W.:
357.80

Type:
---

AlogP:
2.49

Polar Surface Area:
95.92

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA5219922

Name:
4-[2-[2-[[3-(2-amino-6-chloro-pyrimidin-4-yl)-1-methyl-pyrazol-4-yl]methyl]Show More⌵

Mol. Formula:
C21H24ClN7O2

M.W.:
441.92

Type:
---

AlogP:
1.51

Polar Surface Area:
111.19

HBA:
8

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA5219803

Name:
2-[[3-(2-amino-6-chloro-pyrimidin-4-yl)-1-methyl-pyrazol-4-yl]methyl]-N,N-dShow More⌵

Mol. Formula:
C18H19ClN6O

M.W.:
370.84

Type:
---

AlogP:
2.41

Polar Surface Area:
89.93

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA5219783

Name:
4-(4-benzyl-1H-pyrazol-3-yl)-6-chloro-pyrimidin-2-amine

Mol. Formula:
C14H12ClN5

M.W.:
285.74

Type:
---

AlogP:
2.69

Polar Surface Area:
80.48

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA5219751

Name:
3-((3-(2-amino-6-chloropyrimidin-4-yl)-1-methyl-1H-pyrazol-4-yl)methyl)-N-mShow More⌵

Mol. Formula:
C17H17ClN6O

M.W.:
356.82

Type:
---

AlogP:
2.06

Polar Surface Area:
98.72

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA5219579

Name:
[(2R)-4-[2-[2-[[3-(2-amino-6-chloro-pyrimidin-4-yl)-1-(difluoromethyl)pyrazShow More⌵

Mol. Formula:
C22H25ClF2N6O3

M.W.:
494.93

Type:
---

AlogP:
2.63

Polar Surface Area:
111.55

HBA:
9

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA5219530

Name:
Methyl 2-((3-(2-amino-6-chloropyrimidin-4-yl)-1-methyl-1H-pyrazol-4-yl)methShow More⌵

Mol. Formula:
C17H16ClN5O2

M.W.:
357.80

Type:
---

AlogP:
2.49

Polar Surface Area:
95.92

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA5219443

Name:
[(2S)-4-[2-[2-[[3-(2-amino-6-chloropyrimidin-4-yl)-1-(difluoromethyl)pyrazoShow More⌵

Mol. Formula:
C22H25ClF2N6O3

M.W.:
494.93

Type:
---

AlogP:
2.63

Polar Surface Area:
111.55

HBA:
9

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA5219193

Name:
4-(3-benzylpyrazolo[1,5-a]pyridin-2-yl)-6-chloropyrimidin-2-amine

Mol. Formula:
C18H14ClN5

M.W.:
335.80