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CAS 1369232-57-4 6-bromo-3-methyl-1H-pyrazolo[3,4-b]pyridine molecular structure lightbox
CAS RN: 1369232-57-4

6-bromo-3-methyl-1H-pyrazolo[3,4-b]pyridine

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251228 1g Out of stock 5-7 business days Inquiry
  • Product code: LINH927006
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1369232-57-4 / 6-bromo-3-methyl-2H-pyrazolo[3,4-b]pyridine

Standard CAS: 1369232-57-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1369232-57-4
Multi CAS
No
Molecular Formula
C7H6BrN3
Molecular Weight
212.050000
Exact Mass
210.974510
SMILES
CC1=C2C=CC(=NC2=NN1)Br
InChI
InChI=1S/C7H6BrN3/c1-4-5-2-3-6(8)9-7(5)11-10-4/h2-3H,1H3,(H,9,10,11)
InChIKey
MPDNSYHSKBZFCH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
9
Fraction Csp3
0.14
H-bond acceptors
2
H-bond donors
1
Molar refractivity
46.33
TPSA
41.57

LogP / Solubility

WLOGP
2.03
MLOGP
1.79
XLogP3
2.2
Consensus LogP
2.01
Log S (ESOL)
-3.04
Class (ESOL)
Poorly soluble
Log S (Ali)
-2.76
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.72
Class (SILICOS-IT)
Moderately 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)
-2.57

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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