CAS RN: 2288709-96-4
AZ32
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11 package records7 with current stock4 grade groups
- Product code: starshine_CAS2288709-96-4
- Purity/Analytical Methods: >99.0%
2288709-96-4 / N-methyl-4-(6-phenylimidazo[1,2-a]pyrazin-3-yl)benzamide
Basic Information
CAS
2288709-96-4
Multi CAS
No
Molecular Formula
C20H16N4O
Molecular Weight
328.400000
Exact Mass
328.132411
SMILES
CNC(=O)C1=CC=C(C=C1)C2=CN=C3N2C=C(N=C3)C4=CC=CC=C4
InChI
InChI=1S/C20H16N4O/c1-21-20(25)16-9-7-15(8-10-16)18-11-23-19-12-22-17(13-24(18)19)14-5-3-2-4-6-14/h2-13H,1H3,(H,21,25)
InChIKey
LCRTUEXVVKVKBD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
25
Aromatic heavy atom count
21
Fraction Csp3
0.05
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
1
Molar refractivity
97.25
TPSA
59.29
LogP / Solubility
WLOGP
3.42
MLOGP
3.03
XLogP3
3.3
Consensus LogP
3.25
Log S (ESOL)
-4.46
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.72
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5
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)
-2.29
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3
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