CAS RN: 926926-62-7

1H-Pyrazolo[4,3-c]pyridine-3-carboxylic acid, 4,5,6,7-tetrahydro-, ethyl ester

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Batchno.20250706 100mg In stock Shanghai Inquiry
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  • Product code: starshine_CAS926926-62-7
  • Purity/Analytical Methods: >99.0%
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926926-62-7 / ethyl 4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxylate

Standard CAS: 926926-62-7 Multi CAS: No

Basic Information

CAS
926926-62-7
Multi CAS
No
Molecular Formula
C9H13N3O2
Molecular Weight
195.220000
Exact Mass
195.100777
InChI
InChI=1S/C9H13N3O2/c1-2-14-9(13)8-6-5-10-4-3-7(6)11-12-8/h10H,2-5H2,1H3,(H,11,12)
InChIKey
PMOHZPNLNJKKRE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
5
Fraction Csp3
0.56
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
2
Molar refractivity
49.95
TPSA
67.01

LogP / Solubility

WLOGP
0.23
MLOGP
0.2
XLogP3
0.2
Consensus LogP
0.21
Log S (ESOL)
-1.33
Class (ESOL)
Soluble
Log S (Ali)
-1.33
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.36
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)
-3.75

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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