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CAS 271-52-3 1H-PYRAZOLO[4,3-C]PYRIDINE molecular structure lightbox
CAS RN: 271-52-3

1H-PYRAZOLO[4,3-C]PYRIDINE

  • Product code: SSC-125857
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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: 1g
  • Available purity: ＞97%
  • 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 271-52-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Beijing Inquiry

271-52-3 / 1H-pyrazolo[4,5-c]pyridine

Standard CAS: 271-52-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
271-52-3
Multi CAS
No
Molecular Formula
C6H5N3
Molecular Weight
119.120000
Exact Mass
119.048347
SMILES
C1=CN=CC2=C1NN=C2
InChI
InChI=1S/C6H5N3/c1-2-7-3-5-4-8-9-6(1)5/h1-4H,(H,8,9)
InChIKey
WCXFPLXZZSWROM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Aromatic heavy atom count
9
H-bond acceptors
2
H-bond donors
1
Molar refractivity
33.89
TPSA
41.57

LogP / Solubility

WLOGP
0.96
MLOGP
0.83
XLogP3
0.5
Consensus LogP
0.76
Log S (ESOL)
-1.92
Class (ESOL)
Soluble
Log S (Ali)
-1.23
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.23
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)
-2.77

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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