CAS RN: 1144477-35-9
TM-N1324
Product Availability
Choose a grade to view its available package options.
5 package records1 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250317 | 1mg / 5mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS1144477-35-9
- Purity/Analytical Methods: >99.0%
1144477-35-9 / 4-(2-chloro-4-fluorophenyl)-3-methyl-1-(7H-purin-6-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
TM-N1324 | TM N1324 | CHEMBL4077818
Basic Information
CAS
1144477-35-9
Multi CAS
No
Molecular Formula
C18H13ClFN7O
Molecular Weight
397.800000
Exact Mass
397.085414
SMILES
CC1=NN(C2=C1C(CC(=O)N2)C3=C(C=C(C=C3)F)Cl)C4=NC=NC5=C4NC=N5
InChI
InChI=1S/C18H13ClFN7O/c1-8-14-11(10-3-2-9(20)4-12(10)19)5-13(28)25-17(14)27(26-8)18-15-16(22-6-21-15)23-7-24-18/h2-4,6-7,11H,5H2,1H3,(H,25,28)(H,21,22,23,24)
InChIKey
CYQNVXRIWKKWQG-UHFFFAOYSA-N
Synonyms
TM-N1324
TM N1324
CHEMBL4077818
4-(2-chloro-4-fluorophenyl)-3-methyl-1-(9H-purin-6-yl)-4,5-dihydro-1H-pyrazolo[3,4-b]pyridin-6-ol
4-(2-chloro-4-fluorophenyl)-3-methyl-1-(9H-purin-6-yl)-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
Computed Properties
Structural Parameters
Heavy atom count
28
Aromatic heavy atom count
20
Fraction Csp3
0.17
Rotatable bonds
2
H-bond acceptors
6
H-bond donors
2
Molar refractivity
100.04
TPSA
101.38
LogP / Solubility
WLOGP
3.11
MLOGP
2.76
XLogP3
2.5
Consensus LogP
2.79
Log S (ESOL)
-4.66
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.07
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.07
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)
-2.94
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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