CAS RN: 60637-30-1

3-Bromopyrazolo[1,5-a]pyridin-2(1H)-one

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  • Product code: starshine_CAS60637-30-1
  • Purity/Analytical Methods: >99.0%
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60637-30-1 / 3-bromo-1H-pyrazolo[1,5-a]pyridin-2-one

Standard CAS: 60637-30-1 Multi CAS: Yes

Basic Information

CAS
60637-30-1
Multi CAS
Yes
Molecular Formula
BC7H5ORn2
Molecular Weight
213.030000
Exact Mass
211.958530
InChI
InChI=1S/C7H5BrN2O/c8-6-5-3-1-2-4-10(5)9-7(6)11/h1-4H,(H,9,11)
InChIKey
UVTOQVBDNLWPLP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
9
H-bond acceptors
2
H-bond donors
1
Molar refractivity
45.72
TPSA
37.27

LogP / Solubility

WLOGP
1.39
MLOGP
1.22
XLogP3
1.7
Consensus LogP
1.44
Log S (ESOL)
-2.64
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.31
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.2
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.03

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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