CAS RN: 127717-18-4

Methyl 6-methylpyrazolo[1,5-a]pyridine-3-carboxylate

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  • Product code: starshine_CAS127717-18-4
  • Purity/Analytical Methods: >99.0%
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127717-18-4 / methyl 6-methylpyrazolo[1,5-a]pyridine-3-carboxylate

Standard CAS: 127717-18-4 Multi CAS: No

Basic Information

CAS
127717-18-4
Multi CAS
No
Molecular Formula
C10H10N2O2
Molecular Weight
190.200000
Exact Mass
190.074228
SMILES
CC1=CN2C(=C(C=N2)C(=O)OC)C=C1
InChI
InChI=1S/C10H10N2O2/c1-7-3-4-9-8(10(13)14-2)5-11-12(9)6-7/h3-6H,1-2H3
InChIKey
SRCMADUBXYBMGV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
9
Fraction Csp3
0.2
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
51.27
TPSA
43.6

LogP / Solubility

WLOGP
1.43
MLOGP
1.26
XLogP3
1.3
Consensus LogP
1.33
Log S (ESOL)
-2.33
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.15
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.2
Class (SILICOS-IT)
Moderately 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)
-2.87

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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