CAS RN: 1345121-43-8

5-BroMo-4-Methylpyrazolo[1,5-a]pyridine

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  • Product code: starshine_CAS1345121-43-8
  • Purity/Analytical Methods: >99.0%
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1345121-43-8 / 5-bromo-4-methylpyrazolo[1,5-a]pyridine

Standard CAS: 1345121-43-8 Multi CAS: No

Basic Information

CAS
1345121-43-8
Multi CAS
No
Molecular Formula
C8H7BrN2
Molecular Weight
211.060000
Exact Mass
209.979260
SMILES
CC1=C(C=CN2C1=CC=N2)Br
InChI
InChI=1S/C8H7BrN2/c1-6-7(9)3-5-11-8(6)2-4-10-11/h2-5H,1H3
InChIKey
RFWNGIVOWMSQPT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
9
Fraction Csp3
0.12
H-bond acceptors
2
Molar refractivity
47.63
TPSA
17.3

LogP / Solubility

WLOGP
2.41
MLOGP
2.12
XLogP3
2.1
Consensus LogP
2.21
Log S (ESOL)
-3.27
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.03
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.03
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.3

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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