![CAS 924898-13-5 4-(2-(6-methylpyridin-2-yl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)quinoline-6-carbonitrile molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/924898-13-5.gif)
CAS RN: 924898-13-5
4-(2-(6-methylpyridin-2-yl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)quinoline-6-carbonitrile
Product Availability
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1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251229 | 1g | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS924898-13-5
- Purity/Analytical Methods: >99.0%
924898-13-5 / 4-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]quinoline-6-carbonitrile
Basic Information
CAS
924898-13-5
Multi CAS
No
Molecular Formula
C22H17N5
Molecular Weight
351.400000
Exact Mass
351.148396
InChI
InChI=1S/C22H17N5/c1-14-4-2-5-19(25-14)22-21(20-6-3-11-27(20)26-22)16-9-10-24-18-8-7-15(13-23)12-17(16)18/h2,4-5,7-10,12H,3,6,11H2,1H3
InChIKey
JKLLRKDEWNJNFG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
27
Aromatic heavy atom count
21
Fraction Csp3
0.18
Rotatable bonds
2
H-bond acceptors
5
Molar refractivity
103.97
TPSA
67.39
LogP / Solubility
WLOGP
4.29
MLOGP
3.79
XLogP3
3.2
Consensus LogP
3.76
Log S (ESOL)
-5.16
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.54
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.74
Class (SILICOS-IT)
Slightly soluble
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)
-1.82
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5
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