CAS RN: 732983-37-8
BAY 61-3606
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5 package records1 with current stock1 grade group
- Product code: starshine_CAS732983-37-8
- Purity/Analytical Methods: >99.0%
732983-37-8 / 2-[[7-(3,4-dimethoxyphenyl)imidazo[1,2-c]pyrimidin-5-yl]amino]pyridine-3-carboxamide
Basic Information
CAS
732983-37-8
Multi CAS
Yes
Molecular Formula
C20H18N6O3
Molecular Weight
390.400000
Exact Mass
390.144038
InChI
InChI=1S/C20H18N6O3/c1-28-15-6-5-12(10-16(15)29-2)14-11-17-22-8-9-26(17)20(24-14)25-19-13(18(21)27)4-3-7-23-19/h3-11H,1-2H3,(H2,21,27)(H,23,24,25)
InChIKey
JWQOJVOKBAAAAR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
29
Aromatic heavy atom count
21
Fraction Csp3
0.1
Rotatable bonds
6
H-bond acceptors
8
H-bond donors
2
Molar refractivity
107.56
TPSA
116.66
LogP / Solubility
WLOGP
2.65
MLOGP
2.36
XLogP3
3.3
Consensus LogP
2.77
Log S (ESOL)
-4.07
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.68
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.12
Class (SILICOS-IT)
Slightly soluble
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)
-3.22
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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