Compounds

ALA5270018

Name:
N4-(5-cyclobutyl-1H-pyrazol-3-yl)-N2-(2-methyl-1H-1,3-benzodiazol-5-yl)quinShow More⌵

Mol. Formula:
C23H22N8

M.W.:
410.49

Type:
---

AlogP:
5.29

Polar Surface Area:
107.20

HBA:
6

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.31

DETAILS

ALA5269042

Name:
N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-4-[5-(4-fluorophenyl)-1H,2H-pyrShow More⌵

Mol. Formula:
C22H18F4N4OS

M.W.:
462.47

Type:
---

AlogP:
4.68

Polar Surface Area:
56.73

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA5280560

Name:
4-(5-{4-[2-(piperidin-1-yl)ethoxy]phenyl}-1H,2H-pyrazolo[1,5-a]pyrimidin-2-Show More⌵

Mol. Formula:
C29H34F3N5O2S

M.W.:
573.68

Type:
---

AlogP:
5.65

Polar Surface Area:
69.20

HBA:
7

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA5279228

Name:
N2-(2-amino-1H-1,3-benzodiazol-5-yl)-N4-(5-cyclobutyl-1H-pyrazol-3-yl)quinaShow More⌵

Mol. Formula:
C22H21N9

M.W.:
411.47

Type:
---

AlogP:
4.57

Polar Surface Area:
133.22

HBA:
7

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.29

DETAILS

ALA5278632

Name:
N4-(5-cyclobutyl-1H-pyrazol-3-yl)-N2-(1H-indazol-6-yl)quinazoline-2,4-diamiShow More⌵

Mol. Formula:
C22H20N8

M.W.:
396.46

Type:
---

AlogP:
4.98

Polar Surface Area:
107.20

HBA:
6

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA5276694

Name:
N4-(5-cyclobutyl-1H-pyrazol-3-yl)-N2-(1H-indazol-5-yl)quinazoline-2,4-diamiShow More⌵

Mol. Formula:
C22H20N8

M.W.:
396.46

Type:
---

AlogP:
4.98

Polar Surface Area:
107.20

HBA:
6

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA5274568

Name:
N2-(4-aminophenyl)-N4-(5-cyclopropyl-1H-pyrazol-3-yl)quinazoline-2,4-diaminShow More⌵

Mol. Formula:
C20H19N7

M.W.:
357.42

Type:
---

AlogP:
4.30

Polar Surface Area:
104.54

HBA:
6

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA5288376

Name:
N-[3-({5-cyclopropyl-2-[(2-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)amino]Show More⌵

Mol. Formula:
C24H32N6O

M.W.:
420.56

Type:
---

AlogP:
3.41

Polar Surface Area:
82.18

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA5266681

Name:
N-(3-{[5-cyclopropyl-2-({3-[(morpholin-4-yl)methyl]phenyl}amino)pyrimidin-4Show More⌵

Mol. Formula:
C25H34N6O2

M.W.:
450.59

Type:
---

AlogP:
3.26

Polar Surface Area:
91.41

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA4800057

Name:
N2-(Benzo[d]oxazol-6-yl)-N4-cyclopropyl-5-(trifluoromethyl)pyrimidine-2,4-dShow More⌵

Mol. Formula:
C15H12F3N5O

M.W.:
335.29

9 activity values

3 unique targets

Type:
Unknown

AlogP:
3.95

Polar Surface Area:
75.87

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA4799009

Name:
N4-Cyclopropyl-N2-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-5-(trifluoromethyl)Show More⌵

Mol. Formula:
C16H15F3N4O2

M.W.:
352.32

2 activity values

1 unique targets

Type:
Unknown

AlogP:
3.58

Polar Surface Area:
68.30

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.88

DETAILS

ALA4797588

Name:
2-((5-Bromo-2-((3-(trifluoromethyl)phenyl)amino)pyrimidin-4-yl)oxy)-N-methyShow More⌵

Mol. Formula:
C19H14BrF3N4O2

M.W.:
467.25

6 activity values

6 unique targets

Type:
Unknown

AlogP:
5.15

Polar Surface Area:
76.14

HBA:
5

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA4796600

Name:
6-((4-(Cyclopropylamino)-5-(trifluoromethyl)pyrimidin-2-yl)amino)-3,4-dihydShow More⌵

Mol. Formula:
C18H17F3N4O

M.W.:
362.36

2 activity values

1 unique targets

Type:
Unknown

AlogP:
4.33

Polar Surface Area:
66.91

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.85

DETAILS

ALA4795918

Name:
N4-Cyclopropyl-N2-(5-methoxypyridin-3-yl)-5-(trifluoromethyl)pyrimidine-2,4Show More⌵

Mol. Formula:
C14H14F3N5O

M.W.:
325.29

9 activity values

3 unique targets

Type:
Unknown

AlogP:
3.22

Polar Surface Area:
71.96

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.88

DETAILS

ALA4794249

Name:
2-((5-Bromo-2-((4-(trifluoromethyl)phenyl)amino)pyrimidin-4-yl)oxy)-N-methyShow More⌵

Mol. Formula:
C19H14BrF3N4O2

M.W.:
467.25

6 activity values

6 unique targets

Type:
Unknown

AlogP:
5.15

Polar Surface Area:
76.14

HBA:
5

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA4794151

Name:
N4-Cyclopropyl-N2-(1H-indazol-5-yl)-5-(trifluoro-methyl)-pyrimidine-2,4-diaShow More⌵

Mol. Formula:
C15H13F3N6

M.W.:
334.31

2 activity values

1 unique targets

Type:
Unknown

AlogP:
3.69

Polar Surface Area:
78.52

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA4794090

Name:
N2-(Benzo[d][1,3]dioxol-5-yl)-5-(trifluoromethyl)-pyrimidine-2,4-diamine

Mol. Formula:
C12H9F3N4O2

M.W.:
298.22

2 activity values

1 unique targets

Type:
Unknown

AlogP:
2.55

Polar Surface Area:
82.29

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.89

DETAILS

ALA4794049

Name:
N4-(2-(diethylamino)ethyl)-5-iodo-N2-(3,4,5-trimethoxyphenyl)pyrimidine-2,4Show More⌵

Mol. Formula:
C19H28IN5O3

M.W.:
501.37

6 activity values

6 unique targets

Type:
Unknown

AlogP:
3.60

Polar Surface Area:
80.77

HBA:
8

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA4793366

Name:
N4-Cyclobutyl-N2-(1H-pyrrolo[2,3-b]pyridin-5-yl)-5-(trifluoromethyl)pyrimidShow More⌵

Mol. Formula:
C16H15F3N6

M.W.:
348.33

2 activity values

1 unique targets

Type:
Unknown

AlogP:
4.08

Polar Surface Area:
78.52

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA4792540

Name:
N4-Cyclopropyl-N2-(quinolin-3-yl)-5-(trifluoromethyl)-pyrimidine-2,4-diaminShow More⌵

Mol. Formula:
C17H14F3N5

M.W.:
345.33

2 activity values

1 unique targets

Type:
Unknown

AlogP:
4.36

Polar Surface Area:
62.73

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.74

DETAILS