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CAS 1426309-25-2 5-fluoro-6-methyl-1H-pyrazolo[3,4-b]pyridin-3-amine molecular structure lightbox
CAS RN: 1426309-25-2

5-fluoro-6-methyl-1H-pyrazolo[3,4-b]pyridin-3-amine

  • Product code: SSC-053428
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 0.25g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1426309-25-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shanghai Inquiry

1426309-25-2 / 5-fluoro-6-methyl-2H-pyrazolo[3,4-b]pyridin-3-amine

Standard CAS: 1426309-25-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1426309-25-2
Multi CAS
No
Molecular Formula
C7H7FN4
Molecular Weight
166.160000
Exact Mass
166.065474
SMILES
CC1=NC2=NNC(=C2C=C1F)N
InChI
InChI=1S/C7H7FN4/c1-3-5(8)2-4-6(9)11-12-7(4)10-3/h2H,1H3,(H3,9,10,11,12)
InChIKey
NMBCBJFDSSWESZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
9
Fraction Csp3
0.14
H-bond acceptors
3
H-bond donors
2
Molar refractivity
43
TPSA
67.59

LogP / Solubility

WLOGP
0.99
MLOGP
0.87
XLogP3
1
Consensus LogP
0.95
Log S (ESOL)
-2.05
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.64
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.56
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)
-3.03

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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