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CAS 1378592-49-4 6-Fluoro-1H-pyrazolo[4,3-b]pyridine molecular structure lightbox
CAS RN: 1378592-49-4

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

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260204 100mg / 250mg / 500mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1378592-49-4
  • Purity/Analytical Methods: >99.0%
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1378592-49-4 / 6-fluoro-1H-pyrazolo[4,5-b]pyridine

Standard CAS: 1378592-49-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1378592-49-4
Multi CAS
No
Molecular Formula
C6H4FN3
Molecular Weight
137.110000
Exact Mass
137.038925
SMILES
C1=C(C=NC2=C1NN=C2)F
InChI
InChI=1S/C6H4FN3/c7-4-1-5-6(8-2-4)3-9-10-5/h1-3H,(H,9,10)
InChIKey
QFYCGESRMOOOPP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
9
H-bond acceptors
2
H-bond donors
1
Molar refractivity
33.85
TPSA
41.57

LogP / Solubility

WLOGP
1.1
MLOGP
0.96
XLogP3
0.7
Consensus LogP
0.92
Log S (ESOL)
-2.05
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.48
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.46
Class (SILICOS-IT)
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)
-2.78

Drug-likeness / Medicinal Chemistry

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

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