![CAS 1101120-05-1 3-ForMylpyrazolo[1,5-a]pyridine-5-carbonitrile molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1101120-05-1.gif)
CAS RN: 1101120-05-1
3-ForMylpyrazolo[1,5-a]pyridine-5-carbonitrile
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250508 | 50mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1101120-05-1
- Purity/Analytical Methods: >99.0%
1101120-05-1 / 3-formylpyrazolo[1,5-a]pyridine-5-carbonitrile
3-Formylpyrazolo[1,5-a]pyridine-5-carbonitrile | MFCD22067049 | SCHEMBL3070335
Basic Information
CAS
1101120-05-1
Multi CAS
No
Molecular Formula
C9H5N3O
Molecular Weight
171.160000
Exact Mass
171.043262
SMILES
C1=CN2C(=C(C=N2)C=O)C=C1C#N
InChI
InChI=1S/C9H5N3O/c10-4-7-1-2-12-9(3-7)8(6-13)5-11-12/h1-3,5-6H
InChIKey
AWKQMXSIHPOEGN-UHFFFAOYSA-N
Synonyms
3-Formylpyrazolo[1,5-a]pyridine-5-carbonitrile
MFCD22067049
SCHEMBL3070335
AWKQMXSIHPOEGN-UHFFFAOYSA-N
AKOS022190298
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
9
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
45.29
TPSA
58.16
LogP / Solubility
WLOGP
1.02
MLOGP
0.89
XLogP3
0.2
Consensus LogP
0.7
Log S (ESOL)
-1.99
Class (ESOL)
Soluble
Log S (Ali)
-1.7
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.74
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)
-3.04
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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