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CAS 519148-48-2 CJ 033466 molecular structure lightbox
CAS RN: 519148-48-2

CJ 033466

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  • Product code: starshine_CAS519148-48-2
  • Purity/Analytical Methods: >99.0%
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519148-48-2 / 5-amino-6-chloro-2-methyl-N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]imidazo[1,2-a]pyridine-8-carboxamide

Standard CAS: 519148-48-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
519148-48-2
Multi CAS
No
Molecular Formula
C19H28CLN5O
Molecular Weight
377.900000
Exact Mass
377.198238
InChI
InChI=1S/C19H28ClN5O/c1-12(2)10-24-6-4-14(5-7-24)9-22-19(26)15-8-16(20)17(21)25-11-13(3)23-18(15)25/h8,11-12,14H,4-7,9-10,21H2,1-3H3,(H,22,26)
InChIKey
ISKHMDNIWXPUGR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
26
Aromatic heavy atom count
9
Fraction Csp3
0.58
Rotatable bonds
5
H-bond acceptors
5
H-bond donors
2
Molar refractivity
105.69
TPSA
75.66

LogP / Solubility

WLOGP
2.98
MLOGP
2.64
XLogP3
3.8
Consensus LogP
3.14
Log S (ESOL)
-3.98
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.81
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.19
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
Yes
Log Kp (skin permeation)
-2.91

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

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