CAS RN: 158001-76-4
Win 58237
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.20260416 | 1mg / 5mg | Out of stock | 15 business days | Inquiry |
158001-76-4 / 1-cyclopentyl-3-methyl-6-pyridin-4-yl-5H-pyrazolo[5,4-d]pyrimidin-4-one
Win 58237 | SCHEMBL147829 | orb1708223
Basic Information
CAS
158001-76-4
Multi CAS
Yes
Molecular Formula
C16H17N5O
Molecular Weight
295.340000
Exact Mass
295.143310
SMILES
CC1=NN(C2=C1C(=O)NC(=N2)C3=CC=NC=C3)C4CCCC4
InChI
InChI=1S/C16H17N5O/c1-10-13-15(21(20-10)12-4-2-3-5-12)18-14(19-16(13)22)11-6-8-17-9-7-11/h6-9,12H,2-5H2,1H3,(H,18,19,22)
InChIKey
GODZWYONGRENHA-UHFFFAOYSA-N
Synonyms
Win 58237
SCHEMBL147829
orb1708223
SCHEMBL5597332
AKOS040740567
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
15
Fraction Csp3
0.38
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
1
Molar refractivity
83.62
TPSA
76.46
LogP / Solubility
WLOGP
2.61
MLOGP
2.3
XLogP3
1.5
Consensus LogP
2.14
Log S (ESOL)
-3.68
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.86
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.98
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.67
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3
![Ethyl imidazo[1,2-a]pyridine-6-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2026/07/158001-04-8.png)
![3-Methyl-6-(pyridin-4-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine molecular structure](https://starshinechemical.com/wp-content/uploads/2026/07/158001-32-2.png)
