Compounds

ALA5205425

Name:
3-chloro-N-(1-(4-ethyl-6-oxo-1,6-dihydropyrimidin-2-yl)-3-methyl-1H-pyrazolShow More⌵

Mol. Formula:
C17H16ClN5O2

M.W.:
357.80

3 activity values

2 unique targets

Type:
---

AlogP:
2.73

Polar Surface Area:
92.67

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA5203795

Name:
N-(1-(4-ethyl-6-oxo-1,6-dihydropyrimidin-2-yl)-3-methyl-1H-pyrazol-5-yl)-2-Show More⌵

Mol. Formula:
C18H19N5O2

M.W.:
337.38

3 activity values

2 unique targets

Type:
---

AlogP:
2.39

Polar Surface Area:
92.67

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA5203054

Name:
4-chloro-N-(1-(4-ethyl-6-oxo-1,6-dihydropyrimidin-2-yl)-3-methyl-1H-pyrazolShow More⌵

Mol. Formula:
C17H16ClN5O2

M.W.:
357.80

3 activity values

2 unique targets

Type:
---

AlogP:
2.73

Polar Surface Area:
92.67

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA5201467

Name:
N-(1-(4-ethyl-6-oxo-1,6-dihydropyrimidin-2-yl)-3-methyl-1H-pyrazol-5-yl)-2-Show More⌵

Mol. Formula:
C18H18FN5O2

M.W.:
355.37

3 activity values

2 unique targets

Type:
---

AlogP:
2.53

Polar Surface Area:
92.67

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA5199983

Name:
3-bromo-N-(1-(4-ethyl-6-oxo-1,6-dihydropyrimidin-2-yl)-3-methyl-1H-pyrazol-Show More⌵

Mol. Formula:
C17H16BrN5O2

M.W.:
402.25

3 activity values

2 unique targets

Type:
---

AlogP:
2.84

Polar Surface Area:
92.67

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA5197376

Name:
N-(1-(4-ethyl-6-oxo-1,6-dihydropyrimidin-2-yl)-3-methyl-1H-pyrazol-5-yl)-3-Show More⌵

Mol. Formula:
C18H16F3N5O2

M.W.:
391.35

3 activity values

2 unique targets

Type:
---

AlogP:
3.10

Polar Surface Area:
92.67

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA5197311

Name:
N-(1-(4-ethyl-6-oxo-1,6-dihydropyrimidin-2-yl)-3-methyl-1H-pyrazol-5-yl)-3-Show More⌵

Mol. Formula:
C18H19N5O2S

M.W.:
369.45

3 activity values

2 unique targets

Type:
---

AlogP:
2.80

Polar Surface Area:
92.67

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA5195432

Name:
N-(1-(4-ethyl-6-oxo-1,6-dihydropyrimidin-2-yl)-3-methyl-1H-pyrazol-5-yl)bipShow More⌵

Mol. Formula:
C23H21N5O2

M.W.:
399.45

3 activity values

2 unique targets

Type:
---

AlogP:
3.75

Polar Surface Area:
92.67

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA5193541

Name:
N-(1-(4-ethyl-6-oxo-1,6-dihydropyrimidin-2-yl)-3-methyl-1H-pyrazol-5-yl)-2-Show More⌵

Mol. Formula:
C18H18FN5O2

M.W.:
355.37

3 activity values

2 unique targets

Type:
---

AlogP:
2.15

Polar Surface Area:
92.67

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA5193391

Name:
N-(1-(4-ethyl-6-oxo-1,6-dihydropyrimidin-2-yl)-3-methyl-1H-pyrazol-5-yl)furShow More⌵

Mol. Formula:
C15H15N5O3

M.W.:
313.32

3 activity values

2 unique targets

Type:
---

AlogP:
1.67

Polar Surface Area:
105.81

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA5192342

Name:
N-(1-(4-ethyl-6-oxo-1,6-dihydropyrimidin-2-yl)-3-methyl-1H-pyrazol-5-yl)-4-Show More⌵

Mol. Formula:
C19H21N5O4

M.W.:
383.41

3 activity values

2 unique targets

Type:
---

AlogP:
2.06

Polar Surface Area:
111.13

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA5190265

Name:
N-(1-(4-ethyl-6-oxo-1,6-dihydropyrimidin-2-yl)-3-methyl-1H-pyrazol-5-yl)benShow More⌵

Mol. Formula:
C17H17N5O2

M.W.:
323.36

3 activity values

2 unique targets

Type:
---

AlogP:
2.08

Polar Surface Area:
92.67

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA5190252

Name:
3-tert-butyl-N-(1-(4-ethyl-6-oxo-1,6-dihydropyrimidin-2-yl)-3-methyl-1H-pyrShow More⌵

Mol. Formula:
C21H25N5O2

M.W.:
379.46

3 activity values

2 unique targets

Type:
---

AlogP:
3.38

Polar Surface Area:
92.67

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA5188949

Name:
N-(1-(4-ethyl-6-oxo-1,6-dihydropyrimidin-2-yl)-3-methyl-1H-pyrazol-5-yl)-3-Show More⌵

Mol. Formula:
C18H19N5O2

M.W.:
337.38

16 activity values

10 unique targets

Type:
---

AlogP:
2.39

Polar Surface Area:
92.67

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA5187824

Name:
N-(1-(4-ethyl-6-oxo-1,6-dihydropyrimidin-2-yl)-3-methyl-1H-pyrazol-5-yl)-2-Show More⌵

Mol. Formula:
C17H16FN5O2

M.W.:
341.35

15 activity values

9 unique targets

Type:
---

AlogP:
2.22

Polar Surface Area:
92.67

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA5187427

Name:
4-(dimethylamino)-N-(1-(4-ethyl-6-oxo-1,6-dihydropyrimidin-2-yl)-3-methyl-1Show More⌵

Mol. Formula:
C19H22N6O2

M.W.:
366.43

3 activity values

2 unique targets

Type:
---

AlogP:
2.14

Polar Surface Area:
95.91

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA5186697

Name:
N-(1-(4-ethyl-6-oxo-1,6-dihydropyrimidin-2-yl)-3-methyl-1H-pyrazol-5-yl)-2-Show More⌵

Mol. Formula:
C19H21N5O2

M.W.:
351.41

3 activity values

2 unique targets

Type:
---

AlogP:
2.32

Polar Surface Area:
92.67

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA5186517

Name:
2-ethyl-N-(1-(4-ethyl-6-oxo-1,6-dihydropyrimidin-2-yl)-3-methyl-1H-pyrazol-Show More⌵

Mol. Formula:
C19H21N5O2

M.W.:
351.41

3 activity values

2 unique targets

Type:
---

AlogP:
2.64

Polar Surface Area:
92.67

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA5186455

Name:
N-(1-(4-ethyl-6-oxo-1,6-dihydropyrimidin-2-yl)-3-methyl-1H-pyrazol-5-yl)-3-Show More⌵

Mol. Formula:
C17H16FN5O2

M.W.:
341.35

3 activity values

2 unique targets

Type:
---

AlogP:
2.22

Polar Surface Area:
92.67

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA5186344

Name:
3-cyclopropyl-N-(1-(4-ethyl-6-oxo-1,6-dihydropyrimidin-2-yl)-3-methyl-1H-pyShow More⌵

Mol. Formula:
C20H21N5O2

M.W.:
363.42

3 activity values

2 unique targets

Type:
---

AlogP:
2.96

Polar Surface Area:
92.67

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.73

DETAILS