![CAS 2222752-05-6 Pyrazolo[1,5-a]pyridine-3-carbonitrile, 4-[6-(3,6-diazabicyclo[3.1.1]hept-3-yl)-3-pyridinyl]-6-(2-hydroxy-2-methylpropoxy)- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2222752-05-6.gif)
CAS RN: 2222752-05-6
Pyrazolo[1,5-a]pyridine-3-carbonitrile, 4-[6-(3,6-diazabicyclo[3.1.1]hept-3-yl)-3-pyridinyl]-6-(2-hydroxy-2-methylpropoxy)-
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.20251211 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS2222752-05-6
- Purity/Analytical Methods: >99.0%
2222752-05-6 / 4-[6-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-3-pyridinyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile
Basic Information
CAS
2222752-05-6
Multi CAS
No
Molecular Formula
C22H24N6O2
Molecular Weight
404.500000
Exact Mass
404.196074
SMILES
CC(C)(COC1=CN2C(=C(C=N2)C#N)C(=C1)C3=CN=C(C=C3)N4CC5CC(C4)N5)O
InChI
InChI=1S/C22H24N6O2/c1-22(2,29)13-30-18-6-19(21-15(7-23)9-25-28(21)12-18)14-3-4-20(24-8-14)27-10-16-5-17(11-27)26-16/h3-4,6,8-9,12,16-17,26,29H,5,10-11,13H2,1-2H3
InChIKey
SUGKKIXWZASGSG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
30
Aromatic heavy atom count
15
Fraction Csp3
0.41
Rotatable bonds
5
H-bond acceptors
8
H-bond donors
2
Molar refractivity
112.47
TPSA
98.71
LogP / Solubility
WLOGP
1.97
MLOGP
1.76
XLogP3
1.3
Consensus LogP
1.68
Log S (ESOL)
-3.63
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.3
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.52
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.79
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
7
Customers Also Viewed
-
LOXO-292
- CAS RN: 2222755-14-6
- Product Code: starshine_CAS2222755-14-6
- Purity/Analytical method: >99.0%
-
3,6-Diazabicyclo[3.1.1]heptane-6-carboxylic acid, 3-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-, 1,1-dimethylethyl ester
- CAS RN: 2222755-94-2
- Product Code: starshine_CAS2222755-94-2
- Purity/Analytical method: >99.0%
-
6-Bromo-4-(6-fluoro-3-pyridinyl)-pyrazolo[1,5-a]pyridine-3-carbonitrile
- CAS RN: 2222756-24-1
- Product Code: SSC-106901
-
2H-Pyrrolo[3,4-c]pyridine-2-carboxylic acid, 6-(chloromethyl)-1,3-dihydro-, 1,1-dimethylethyl ester
- CAS RN: 2222756-66-1
- Product Code: starshine_CAS2222756-66-1
- Purity/Analytical method: >99.0%
-
Dynarrestin
- CAS RN: 2222768-84-3
- Product Code: starshine_CAS2222768-84-3
- Purity/Analytical method: >99.0%
-
[S(R)]-N-[(R)-[2-(Diphenylphosphino)phenyl]phenylmethyl]-N,2-dimethyl-2-propanesulfinamide
- CAS RN: 2222798-18-5
- Product Code: SSC-106908
![CAS 2222755-94-2 3,6-Diazabicyclo[3.1.1]heptane-6-carboxylic acid, 3-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-, 1,1-dimethylethyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2222755-94-2.gif)
![CAS 2222756-24-1 6-Bromo-4-(6-fluoro-3-pyridinyl)-pyrazolo[1,5-a]pyridine-3-carbonitrile molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2222756-24-1.gif)
![CAS 2222756-66-1 2H-Pyrrolo[3,4-c]pyridine-2-carboxylic acid, 6-(chloromethyl)-1,3-dihydro-, 1,1-dimethylethyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2222756-66-1.gif)
![CAS 2222798-18-5 [S(R)]-N-[(R)-[2-(Diphenylphosphino)phenyl]phenylmethyl]-N,2-dimethyl-2-propanesulfinamide molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB86197102.gif)