![CAS 2095432-28-1 6-Isopropyl-7-oxo-5-phenyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile hydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/2095432-28-1.png)
CAS RN: 2095432-28-1
6-Isopropyl-7-oxo-5-phenyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile hydrochloride
Product Availability
Choose a grade to view its available package options.
6 package records5 with current stock2 grade groups
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260622 | 1mg / 5mg / 10mg | Out of stock | 5-7 business days | Inquiry |
- Product code: LINI899609
2095432-28-1 / 7-oxo-5-phenyl-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile;hydrochloride
Basic Information
CAS
2095432-28-1
Multi CAS
No
Molecular Formula
C16H15ClN4O
Molecular Weight
314.770000
Exact Mass
314.093439
SMILES
CC(C)C1=C(N=C2C(=CNN2C1=O)C#N)C3=CC=CC=C3.Cl
InChI
InChI=1S/C16H14N4O.ClH/c1-10(2)13-14(11-6-4-3-5-7-11)19-15-12(8-17)9-18-20(15)16(13)21;/h3-7,9-10,18H,1-2H3;1H
InChIKey
SNODPNXOTKXHHH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
15
Fraction Csp3
0.19
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
87.3
TPSA
73.95
LogP / Solubility
WLOGP
3.11
MLOGP
2.75
XLogP3
3.11
Consensus LogP
2.99
Log S (ESOL)
-4.12
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.38
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.52
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.43
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5
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