CAS RN: 934493-76-2

SAR245409

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  • Product code: starshine_CAS934493-76-2
  • Purity/Analytical Methods: >99.0%
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934493-76-2 / 2-amino-8-ethyl-4-methyl-6-(1H-pyrazol-5-yl)pyrido[2,3-d]pyrimidin-7-one

Standard CAS: 934493-76-2 Multi CAS: Yes

Basic Information

CAS
934493-76-2
Multi CAS
Yes
Molecular Formula
C13H14N6O
Molecular Weight
270.290000
Exact Mass
270.122909
InChI
InChI=1S/C13H14N6O/c1-3-19-11-8(7(2)16-13(14)17-11)6-9(12(19)20)10-4-5-15-18-10/h4-6H,3H2,1-2H3,(H,15,18)(H2,14,16,17)
InChIKey
RGHYDLZMTYDBDT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
15
Fraction Csp3
0.23
Rotatable bonds
2
H-bond acceptors
6
H-bond donors
2
Molar refractivity
76.2
TPSA
102.48

LogP / Solubility

WLOGP
1.09
MLOGP
0.97
XLogP3
0.5
Consensus LogP
0.85
Log S (ESOL)
-2.63
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.56
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.56
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.59

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5

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