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CAS 1211537-03-9 5-BroMo-3-cyclopropyl-1H-pyrazolo[3,4-b]pyridine molecular structure lightbox
CAS RN: 1211537-03-9

5-BroMo-3-cyclopropyl-1H-pyrazolo[3,4-b]pyridine

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250518 250mg In stock Shanghai Inquiry
  • Product code: starshine_CAS1211537-03-9
  • Purity/Analytical Methods: >99.0%
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1211537-03-9 / 5-bromo-3-cyclopropyl-2H-pyrazolo[3,4-b]pyridine

5-Bromo-3-cyclopropyl-1H-pyrazolo[3,4-b]pyridine | 5-Bromo-3-cyclopropyl-2H-pyrazolo[3,4-b]pyridine | MFCD18260550

Standard CAS: 1211537-03-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1211537-03-9
Multi CAS
Yes
Molecular Formula
C9H8BrN3
Molecular Weight
238.080000
Exact Mass
236.990160
SMILES
C1CC1C2=C3C=C(C=NC3=NN2)Br
InChI
InChI=1S/C9H8BrN3/c10-6-3-7-8(5-1-2-5)12-13-9(7)11-4-6/h3-5H,1-2H2,(H,11,12,13)
InChIKey
WWTYPLGVUWUJSU-UHFFFAOYSA-N
Synonyms
5-Bromo-3-cyclopropyl-1H-pyrazolo[3,4-b]pyridine 5-Bromo-3-cyclopropyl-2H-pyrazolo[3,4-b]pyridine MFCD18260550 SCHEMBL19349447 CS2997

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
9
Fraction Csp3
0.33
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
53.56
TPSA
41.57

LogP / Solubility

WLOGP
2.6
MLOGP
2.29
XLogP3
2.1
Consensus LogP
2.33
Log S (ESOL)
-3.4
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.39
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.48
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)
-2.33

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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