![CAS 924869-27-2 TERT-BUTYL 2,4,6,7-TETRAHYDRO-5H-PYRAZOLO[4,3-C]PYRIDINE-5-CARBOXYLATE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB0799735.gif)
CAS RN: 924869-27-2
TERT-BUTYL 2,4,6,7-TETRAHYDRO-5H-PYRAZOLO[4,3-C]PYRIDINE-5-CARBOXYLATE
Product Availability
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4 package records4 with current stock2 grade groups
- Product code: starshine_CAS924869-27-2
- Purity/Analytical Methods: >99.0%
924869-27-2 / tert-butyl 1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-5-carboxylate
Basic Information
CAS
924869-27-2
Multi CAS
No
Molecular Formula
C11H17N3O2
Molecular Weight
223.270000
Exact Mass
223.132077
InChI
InChI=1S/C11H17N3O2/c1-11(2,3)16-10(15)14-5-4-9-8(7-14)6-12-13-9/h6H,4-5,7H2,1-3H3,(H,12,13)
InChIKey
BHYPERDTLBCHAE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
5
Fraction Csp3
0.64
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
58.94
TPSA
58.22
LogP / Solubility
WLOGP
1.7
MLOGP
1.5
XLogP3
1
Consensus LogP
1.4
Log S (ESOL)
-2.53
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.62
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.52
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
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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