CAS RN: 883986-34-3
AZD 2932
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- Product code: starshine_CAS883986-34-3
- Purity/Analytical Methods: >99.0%
883986-34-3 / 2-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-N-(1-propan-2-ylpyrazol-4-yl)acetamide
Basic Information
CAS
883986-34-3
Multi CAS
No
Molecular Formula
C24H25N5O4
Molecular Weight
447.500000
Exact Mass
447.190654
InChI
InChI=1S/C24H25N5O4/c1-15(2)29-13-17(12-27-29)28-23(30)9-16-5-7-18(8-6-16)33-24-19-10-21(31-3)22(32-4)11-20(19)25-14-26-24/h5-8,10-15H,9H2,1-4H3,(H,28,30)
InChIKey
TWYCZJMOEMMCGC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
33
Aromatic heavy atom count
21
Fraction Csp3
0.25
Rotatable bonds
8
H-bond acceptors
8
H-bond donors
1
Molar refractivity
124.1
TPSA
100.39
LogP / Solubility
WLOGP
4.4
MLOGP
3.9
XLogP3
3.1
Consensus LogP
3.8
Log S (ESOL)
-5.33
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.4
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.18
Class (SILICOS-IT)
Insoluble
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)
-2.33
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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