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CAS 104468-72-6 5-Methylpyrazolo[1,5-a]pyridine molecular structure lightbox
CAS RN: 104468-72-6

5-Methylpyrazolo[1,5-a]pyridine

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Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260203 50mg / 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS104468-72-6
  • Purity/Analytical Methods: >99.0%
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104468-72-6 / 5-methylpyrazolo[1,5-a]pyridine

5-METHYLPYRAZOLO[1,5-A]PYRIDINE | MFCD19688318 | SCHEMBL12489513

Standard CAS: 104468-72-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
104468-72-6
Multi CAS
No
Molecular Formula
C8H8N2
Molecular Weight
132.160000
Exact Mass
132.068748
SMILES
CC1=CC2=CC=NN2C=C1
InChI
InChI=1S/C8H8N2/c1-7-3-5-10-8(6-7)2-4-9-10/h2-6H,1H3
InChIKey
ZSUAJRFGCWDEKK-UHFFFAOYSA-N
Synonyms
5-METHYLPYRAZOLO[1,5-A]PYRIDINE MFCD19688318 SCHEMBL12489513 SCHEMBL15066710 DTXSID30559359

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
9
Fraction Csp3
0.12
H-bond acceptors
2
Molar refractivity
39.93
TPSA
17.3

LogP / Solubility

WLOGP
1.64
MLOGP
1.44
XLogP3
1.4
Consensus LogP
1.49
Log S (ESOL)
-2.36
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.83
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.88
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.36

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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