Compounds

ALA5270693

Name:
phenyl-2-((4-(4-(dimethylamino)piperidin-1-yl)-2-methoxyphenyl)amino)-4-(1HShow More⌵

Mol. Formula:
C33H34N6O3

M.W.:
562.67

Type:
---

AlogP:
6.13

Polar Surface Area:
95.61

HBA:
8

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.17

DETAILS

ALA5198664

Name:
N4-(1H-indol-5-yl)-5-methyl-N2-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidineShow More⌵

Mol. Formula:
C24H27N7

M.W.:
413.53

5 activity values

3 unique targets

Type:
---

AlogP:
4.51

Polar Surface Area:
72.11

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA5198489

Name:
N4-(1H-indazol-6-yl)-5-methyl-N2-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidiShow More⌵

Mol. Formula:
C23H26N8

M.W.:
414.52

2 activity values

2 unique targets

Type:
---

AlogP:
3.90

Polar Surface Area:
85.00

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA5198330

Name:
5-chloro-N4-(1H-indazol-6-yl)-N2-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidiShow More⌵

Mol. Formula:
C22H23ClN8

M.W.:
434.94

2 activity values

2 unique targets

Type:
---

AlogP:
4.25

Polar Surface Area:
85.00

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA5201786

Name:
ethyl 4-(1H-indazol-6-ylamino)-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidShow More⌵

Mol. Formula:
C25H28N8O2

M.W.:
472.55

2 activity values

2 unique targets

Type:
---

AlogP:
3.77

Polar Surface Area:
111.30

HBA:
9

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA5201445

Name:
N4-indan-5-yl-5-methyl-N2-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidine-2,4-Show More⌵

Mol. Formula:
C25H30N6

M.W.:
414.56

2 activity values

2 unique targets

Type:
---

AlogP:
4.51

Polar Surface Area:
56.32

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA5200825

Name:
5-methyl-N4-(3-methyl-1H-indazol-6-yl)-N2-[4-(4-methylpiperazin-1-yl)phenylShow More⌵

Mol. Formula:
C24H28N8

M.W.:
428.54

2 activity values

2 unique targets

Type:
---

AlogP:
4.21

Polar Surface Area:
85.00

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA5199913

Name:
N4-(1H-indazol-6-yl)-5-methoxy-N2-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidShow More⌵

Mol. Formula:
C23H26N8O

M.W.:
430.52

2 activity values

2 unique targets

Type:
---

AlogP:
3.60

Polar Surface Area:
94.23

HBA:
8

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA5209072

Name:
N4-(1H-indazol-6-yl)-6-methyl-N2-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidiShow More⌵

Mol. Formula:
C23H26N8

M.W.:
414.52

2 activity values

2 unique targets

Type:
---

AlogP:
3.90

Polar Surface Area:
85.00

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA5206811

Name:
N2-[4-(4,4-difluoro-1-piperidyl)phenyl]-N4-(1H-indazol-6-yl)-5-methyl-pyrimShow More⌵

Mol. Formula:
C23H23F2N7

M.W.:
435.48

2 activity values

2 unique targets

Type:
---

AlogP:
5.38

Polar Surface Area:
81.76

HBA:
6

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA5206707

Name:
4-[[4-(1H-indazol-6-ylamino)-5-methyl-pyrimidin-2-yl]amino]-N-(2-morpholinoShow More⌵

Mol. Formula:
C25H28N8O2

M.W.:
472.55

2 activity values

2 unique targets

Type:
---

AlogP:
3.21

Polar Surface Area:
120.09

HBA:
8

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.31

DETAILS

ALA5206292

Name:
N4-(1H-indazol-6-yl)-N2-[4-(4-methylpiperazin-1-yl)phenyl]-6-(trifluoromethShow More⌵

Mol. Formula:
C23H23F3N8

M.W.:
468.49

2 activity values

2 unique targets

Type:
---

AlogP:
4.61

Polar Surface Area:
85.00

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA5193810

Name:
5-fluoro-N4-(1H-indazol-6-yl)-N2-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidiShow More⌵

Mol. Formula:
C22H23FN8

M.W.:
418.48

2 activity values

2 unique targets

Type:
---

AlogP:
3.73

Polar Surface Area:
85.00

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA5193112

Name:
N4-(1H-indazol-5-yl)-5-methyl-N2-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidiShow More⌵

Mol. Formula:
C23H26N8

M.W.:
414.52

2 activity values

2 unique targets

Type:
---

AlogP:
3.90

Polar Surface Area:
85.00

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA5192386

Name:
N4-(1H-indol-4-yl)-5-methyl-N2-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidineShow More⌵

Mol. Formula:
C24H27N7

M.W.:
413.53

2 activity values

2 unique targets

Type:
---

AlogP:
4.51

Polar Surface Area:
72.11

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA5190076

Name:
N4-(1H-indazol-6-yl)-N2-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)-1-piperidyShow More⌵

Mol. Formula:
C29H37N9O

M.W.:
527.68

2 activity values

2 unique targets

Type:
---

AlogP:
4.37

Polar Surface Area:
97.47

HBA:
9

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA5190005

Name:
N2-[4-(4-ethylpiperazin-1-yl)-2-methoxy-phenyl]-N4-(1H-indazol-6-yl)-5-methShow More⌵

Mol. Formula:
C25H30N8O

M.W.:
458.57

2 activity values

2 unique targets

Type:
---

AlogP:
4.30

Polar Surface Area:
94.23

HBA:
8

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA5189169

Name:
5-methyl-N4-(1-methylindol-5-yl)-N2-[4-(4-methylpiperazin-1-yl)phenyl]pyrimShow More⌵

Mol. Formula:
C25H29N7

M.W.:
427.56

2 activity values

2 unique targets

Type:
---

AlogP:
4.52

Polar Surface Area:
61.25

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA5188763

Name:
[4-[[4-(1H-indazol-6-ylamino)-5-methyl-pyrimidin-2-yl]amino]phenyl]-(4-methShow More⌵

Mol. Formula:
C24H26N8O

M.W.:
442.53

2 activity values

2 unique targets

Type:
---

AlogP:
3.54

Polar Surface Area:
102.07

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA5187885

Name:
N2-[4-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]-N4-(1H-indazol-6-yl)-5-methyl-pShow More⌵

Mol. Formula:
C22H23N7O2S

M.W.:
449.54

2 activity values

2 unique targets

Type:
---

AlogP:
3.38

Polar Surface Area:
115.90

HBA:
8

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.42

DETAILS