CAS RN: 290297-25-5
3-PYRIDINAMINE, N-METHYL-4-(2-METHYLPHENYL)-6-(4-METHYL-1-PIPERAZINYL)-
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2 package records2 with current stock2 grade groups
- Product code: starshine_CAS290297-25-5
- Purity/Analytical Methods: >99.0%
290297-25-5 / N-methyl-4-(2-methylphenyl)-6-(4-methylpiperazin-1-yl)pyridin-3-amine
Basic Information
CAS
290297-25-5
Multi CAS
No
Molecular Formula
C18H24N4
Molecular Weight
296.400000
Exact Mass
296.200097
InChI
InChI=1S/C18H24N4/c1-14-6-4-5-7-15(14)16-12-18(20-13-17(16)19-2)22-10-8-21(3)9-11-22/h4-7,12-13,19H,8-11H2,1-3H3
InChIKey
LCQDUKXKKBAUIO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
12
Fraction Csp3
0.39
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
1
Molar refractivity
93.67
TPSA
31.4
LogP / Solubility
WLOGP
2.85
MLOGP
2.52
XLogP3
3.1
Consensus LogP
2.82
Log S (ESOL)
-3.68
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.05
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.31
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.5
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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