![CAS 2222653-74-7 Pyrazolo[1,5-a]pyridine-3-carbonitrile, 4-(6-fluoro-3-pyridinyl)-6-(2-hydroxy-2-methylpropoxy)- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2222653-74-7.gif)
CAS RN: 2222653-74-7
Pyrazolo[1,5-a]pyridine-3-carbonitrile, 4-(6-fluoro-3-pyridinyl)-6-(2-hydroxy-2-methylpropoxy)-
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250126 | 100mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS2222653-74-7
- Purity/Analytical Methods: >99.0%
2222653-74-7 / 4-(6-fluoro-3-pyridinyl)-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile
Basic Information
CAS
2222653-74-7
Multi CAS
No
Molecular Formula
C17H15FN4O2
Molecular Weight
326.320000
Exact Mass
326.117904
SMILES
CC(C)(COC1=CN2C(=C(C=N2)C#N)C(=C1)C3=CN=C(C=C3)F)O
InChI
InChI=1S/C17H15FN4O2/c1-17(2,23)10-24-13-5-14(11-3-4-15(18)20-7-11)16-12(6-19)8-21-22(16)9-13/h3-5,7-9,23H,10H2,1-2H3
InChIKey
OTWBFWHFNNCVNQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
24
Aromatic heavy atom count
15
Fraction Csp3
0.24
Rotatable bonds
4
H-bond acceptors
6
H-bond donors
1
Molar refractivity
84.89
TPSA
83.44
LogP / Solubility
WLOGP
2.56
MLOGP
2.27
XLogP3
1.7
Consensus LogP
2.18
Log S (ESOL)
-3.67
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.08
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.38
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.9
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5
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