Compounds

Type:
---

AlogP:
2.11

Polar Surface Area:
68.87

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA5202902

Name:
N2-(3-fluorophenyl)-N4-(piperidin-4-yl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diaShow More⌵

Mol. Formula:
C17H19FN6

M.W.:
326.38

Type:
---

AlogP:
3.00

Polar Surface Area:
77.66

HBA:
5

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA5191406

Name:
1-((1-(4-amino-1,3,5-triazin-2-yl)-2-(2-methoxyethylamino)-1H-benzo[d]imidaShow More⌵

Mol. Formula:
C21H25N7O2

M.W.:
407.48

Type:
---

AlogP:
1.90

Polar Surface Area:
124.00

HBA:
9

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA5189815

Name:
4-(4-amino-4-methylpiperidin-1-yl)-N-(3-chlorophenyl)-7H-pyrrolo[2,3-d]pyriShow More⌵

Mol. Formula:
C18H21ClN6

M.W.:
356.86

Type:
---

AlogP:
3.67

Polar Surface Area:
82.86

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA5186826

Name:
2-(2-(phenylamino)-7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)ethanol

Mol. Formula:
C14H15N5O

M.W.:
269.31

Type:
---

AlogP:
2.11

Polar Surface Area:
85.86

HBA:
5

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA5186090

Name:
4-(3-(aminomethyl)piperidin-1-yl)-N-(3-chlorophenyl)-7H-pyrrolo[2,3-d]pyrimShow More⌵

Mol. Formula:
C18H21ClN6

M.W.:
356.86

Type:
---

AlogP:
3.53

Polar Surface Area:
82.86

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA5184873

Name:
N2-phenyl-N4-(piperidin-4-yl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine

Mol. Formula:
C17H20N6

M.W.:
308.39

Type:
---

AlogP:
2.87

Polar Surface Area:
77.66

HBA:
5

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA5184137

Name:
N2-(3-chlorophenyl)-N4-(piperidin-4-yl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diaShow More⌵

Mol. Formula:
C17H19ClN6

M.W.:
342.83

Type:
---

AlogP:
3.52

Polar Surface Area:
77.66

HBA:
5

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA5183564

Name:
N2-(3-methoxyphenyl)-N4-(piperidin-4-yl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diShow More⌵

Mol. Formula:
C18H22N6O

M.W.:
338.42

Type:
---

AlogP:
2.87

Polar Surface Area:
86.89

HBA:
6

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA5183475

Name:
(R)-4-(3-aminopiperidin-1-yl)-N-(3-chlorophenyl)-7H-pyrrolo[2,3-d]pyrimidinShow More⌵

Mol. Formula:
C17H19ClN6

M.W.:
342.83

Type:
---

AlogP:
3.28

Polar Surface Area:
82.86

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA5182863

Name:
3-(2-(phenylamino)-7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)propane-1,2-diol

Mol. Formula:
C15H17N5O2

M.W.:
299.33

Type:
---

AlogP:
1.47

Polar Surface Area:
106.09

HBA:
6

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA5178680

Name:
N2-(3-chlorophenyl)-N4-(piperidin-4-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidine-2Show More⌵

Mol. Formula:
C18H21ClN6

M.W.:
356.86

Type:
---

AlogP:
3.77

Polar Surface Area:
77.66

HBA:
5

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA5170532

Name:
(S)-4-(3-aminopiperidin-1-yl)-N-(3-chlorophenyl)-7H-pyrrolo[2,3-d]pyrimidinShow More⌵

Mol. Formula:
C17H19ClN6

M.W.:
342.83

Type:
---

AlogP:
3.28

Polar Surface Area:
82.86

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA4799469

Name:
Isobutyl (R)-4-(6-chloro-4((5-cyclopropyl-1H-pyrazol-3-yl)amino)quinazolineShow More⌵

Mol. Formula:
C25H30ClN7O3

M.W.:
512.01

15 activity values

Type:
Unknown

AlogP:
4.57

Polar Surface Area:
116.34

HBA:
7

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA4797955

Name:
Pentyl (R)-4-(6-chloro-4((5-cyclopropyl-1H-pyrazol-3-yl)amino)quinazoline-2Show More⌵

Mol. Formula:
C26H32ClN7O3

M.W.:
526.04

10 activity values

Type:
Unknown

AlogP:
5.10

Polar Surface Area:
116.34

HBA:
7

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA4797384

Name:
1-(pivaloyloxy)ethyl(2R)-4-(6-chloro-4((5-cyclopropyl-1H-pyrazol-3-yl)aminoShow More⌵

Mol. Formula:
C28H34ClN7O5

M.W.:
584.08

15 activity values

Type:
Unknown

AlogP:
4.85

Polar Surface Area:
142.64

HBA:
9

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.31

DETAILS

ALA4796841

Name:
Isopropyl (R)-4-(6-chloro-4((5-cyclopropyl-1H-pyrazol-3-yl)amino)quinazolinShow More⌵

Mol. Formula:
C24H28ClN7O3

M.W.:
497.99

10 activity values