CAS RN: 1913252-04-6
JQEZ5
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.20251026 | 1mg / 5mg / 25mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1913252-04-6
- Purity/Analytical Methods: >99.0%
1913252-04-6 / N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
Basic Information
CAS
1913252-04-6
Multi CAS
No
Molecular Formula
C30H38N8O2
Molecular Weight
542.700000
Exact Mass
542.311772
SMILES
CCCC1=C(C(=O)NC(=C1)C)CNC(=O)C2=CC(=NC3=C2C=NN3C(C)C)C4=CN=C(C=C4)N5CCN(CC5)C
InChI
InChI=1S/C30H38N8O2/c1-6-7-21-14-20(4)34-30(40)24(21)17-32-29(39)23-15-26(35-28-25(23)18-33-38(28)19(2)3)22-8-9-27(31-16-22)37-12-10-36(5)11-13-37/h8-9,14-16,18-19H,6-7,10-13,17H2,1-5H3,(H,32,39)(H,34,40)
InChIKey
LQTWDAYNGMMHLV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
40
Aromatic heavy atom count
21
Fraction Csp3
0.43
Rotatable bonds
8
H-bond acceptors
8
H-bond donors
2
Molar refractivity
157.82
TPSA
112.04
LogP / Solubility
WLOGP
3.71
MLOGP
3.3
XLogP3
3.3
Consensus LogP
3.44
Log S (ESOL)
-5.4
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.69
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.22
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.4
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
5
Customers Also Viewed
-
WRG-28
- CAS RN: 1913291-02-7
- Product Code: starshine_CAS1913291-02-7
- Purity/Analytical method: >99.0%
-
eCF506
- CAS RN: 1914078-41-3
- Product Code: starshine_CAS1914078-41-3
- Purity/Analytical method: >99.0%
-
3,5-difluoro-4-(5-isopropyl-1,2,4-oxadiazol-3-yl)phenol
- CAS RN: 1914136-73-4
- Product Code: SSC-089663
-
Spiro[isochroman-1,4′-piperidine] 2,2,2-trifluoroacetate
- CAS RN: 1914148-51-8
- Product Code: starshine_CAS1914148-51-8
- Purity/Analytical method: >99.0%
-
3,9-Diazaspiro[5.5]undecan-2-one 2,2,2-trifluoroacetate
- CAS RN: 1914148-54-1
- Product Code: SSC-089665
-
Ethyl imidazo[1,5-a]pyridine-7-carboxylate hydrochloride
- CAS RN: 1914148-56-3
- Product Code: starshine_CAS1914148-56-3
- Purity/Analytical method: >99.0%
![CAS 1914148-51-8 Spiro[isochroman-1,4′-piperidine] 2,2,2-trifluoroacetate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1914148-51-8.gif)
![CAS 1914148-54-1 3,9-Diazaspiro[5.5]undecan-2-one 2,2,2-trifluoroacetate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1914148-54-1.gif)
![CAS 1914148-56-3 Ethyl imidazo[1,5-a]pyridine-7-carboxylate hydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1914148-56-3.gif)