CAS RN: 2035814-50-5
JNJ-61432059
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.20260312 | 5mg / 25mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS2035814-50-5
- Purity/Analytical Methods: >99.0%
2035814-50-5 / 5-[2-(4-fluorophenyl)-7-(4-hydroxypiperidin-1-yl)pyrazolo[1,5-c]pyrimidin-3-yl]-1,3-dihydroindol-2-one
Basic Information
CAS
2035814-50-5
Multi CAS
No
Molecular Formula
C25H22FN5O2
Molecular Weight
443.500000
Exact Mass
443.175753
SMILES
C1CN(CCC1O)C2=NC=CC3=C(C(=NN32)C4=CC=C(C=C4)F)C5=CC6=C(C=C5)NC(=O)C6
InChI
InChI=1S/C25H22FN5O2/c26-18-4-1-15(2-5-18)24-23(16-3-6-20-17(13-16)14-22(33)28-20)21-7-10-27-25(31(21)29-24)30-11-8-19(32)9-12-30/h1-7,10,13,19,32H,8-9,11-12,14H2,(H,28,33)
InChIKey
UWIJVELUZWBFEU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
33
Aromatic heavy atom count
21
Fraction Csp3
0.24
Rotatable bonds
3
H-bond acceptors
6
H-bond donors
2
Molar refractivity
123.6
TPSA
82.76
LogP / Solubility
WLOGP
3.66
MLOGP
3.25
XLogP3
3
Consensus LogP
3.3
Log S (ESOL)
-5.17
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.84
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.94
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.83
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4
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