CAS RN: 1642581-63-2

Glumetinib

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  • Product code: starshine_CAS1642581-63-2
  • Purity/Analytical Methods: >99.0%
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1642581-63-2 / 6-(1-methylpyrazol-4-yl)-1-[6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]sulfonylpyrazolo[4,5-b]pyridine

Standard CAS: 1642581-63-2 Multi CAS: No

Basic Information

CAS
1642581-63-2
Multi CAS
No
Molecular Formula
C21H17N9O2S
Molecular Weight
459.500000
Exact Mass
459.122592
SMILES
CN1C=C(C=N1)C2=CN3C(=NC=C3S(=O)(=O)N4C5=C(C=N4)N=CC(=C5)C6=CN(N=C6)C)C=C2
InChI
InChI=1S/C21H17N9O2S/c1-27-11-16(7-24-27)14-3-4-20-23-10-21(29(20)13-14)33(31,32)30-19-5-15(6-22-18(19)9-26-30)17-8-25-28(2)12-17/h3-13H,1-2H3
InChIKey
RYBLECYFLJXEJX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
33
Aromatic heavy atom count
28
Fraction Csp3
0.1
Rotatable bonds
4
H-bond acceptors
11
Molar refractivity
119.71
TPSA
117.79

LogP / Solubility

WLOGP
2.12
MLOGP
1.89
XLogP3
1.9
Consensus LogP
1.97
Log S (ESOL)
-4.39
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.86
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.88
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.02

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4

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