CAS RN: 1425043-73-7
IPI3063
Product Availability
Choose a grade to view its available package options.
6 package records6 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251231 | 1mg / 5mg / 25mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS1425043-73-7
- Purity/Analytical Methods: >99.0%
1425043-73-7 / 4-amino-6-[[(1S)-1-[8-(1-methyl-6-oxo-3-pyridinyl)-1-oxo-2-propan-2-ylisoquinolin-3-yl]ethyl]amino]pyrimidine-5-carbonitrile
Basic Information
CAS
1425043-73-7
Multi CAS
No
Molecular Formula
C25H25N7O2
Molecular Weight
455.500000
Exact Mass
455.206973
SMILES
C[C@@H](C1=CC2=C(C(=CC=C2)C3=CN(C(=O)C=C3)C)C(=O)N1C(C)C)NC4=NC=NC(=C4C#N)N
InChI
InChI=1S/C25H25N7O2/c1-14(2)32-20(15(3)30-24-19(11-26)23(27)28-13-29-24)10-16-6-5-7-18(22(16)25(32)34)17-8-9-21(33)31(4)12-17/h5-10,12-15H,1-4H3,(H3,27,28,29,30)/t15-/m0/s1
InChIKey
OBHAYOJCPNWKBL-HNNXBMFYSA-N
Computed Properties
Structural Parameters
Heavy atom count
34
Aromatic heavy atom count
22
Fraction Csp3
0.24
Rotatable bonds
5
H-bond acceptors
9
H-bond donors
2
Molar refractivity
132.47
TPSA
131.62
LogP / Solubility
WLOGP
3.37
MLOGP
2.99
XLogP3
2.4
Consensus LogP
2.92
Log S (ESOL)
-4.93
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.72
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.01
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
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)
-3.11
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5
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