![CAS 942919-53-1 3-[4-[3-(4-Aminophenyl)-1-ethyl-1H-pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-N,N-dimethylbenzenemethanamine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/942919-53-1.gif)
CAS RN: 942919-53-1
3-[4-[3-(4-Aminophenyl)-1-ethyl-1H-pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-N,N-dimethylbenzenemethanamine
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.20250608 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS942919-53-1
- Purity/Analytical Methods: >99.0%
942919-53-1 / 4-[4-[2-[3-[(dimethylamino)methyl]phenyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]-1-ethylpyrazol-3-yl]aniline
Basic Information
CAS
942919-53-1
Multi CAS
No
Molecular Formula
C27H28N6
Molecular Weight
436.600000
Exact Mass
436.237545
InChI
InChI=1S/C27H28N6/c1-4-33-17-24(26(31-33)19-8-10-21(28)11-9-19)22-12-13-29-27-23(22)15-25(30-27)20-7-5-6-18(14-20)16-32(2)3/h5-15,17H,4,16,28H2,1-3H3,(H,29,30)
InChIKey
ISRYHQVOEGWRIY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
33
Aromatic heavy atom count
26
Fraction Csp3
0.19
Rotatable bonds
6
H-bond acceptors
5
H-bond donors
2
Molar refractivity
135.66
TPSA
75.76
LogP / Solubility
WLOGP
5.42
MLOGP
4.8
XLogP3
4
Consensus LogP
4.74
Log S (ESOL)
-6.15
Class (ESOL)
Insoluble
Log S (Ali)
-7.06
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.72
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.53
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
3.5
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