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CAT: 0926-BS166578-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0926-BS166578-02Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1642581-63-2
Synonyms
Glumetinib
MDL Number
MFCD31693844
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
Molecular Formula
C21H17N9O2S
Molecular Weight
459.49 g/mol
Controlled
No

Chemical Information

Gumarontinib

Glumetinib is under investigation in clinical trial NCT04270591 (Assess the Anti-tumor Activity and Safety of Glumetinib in Patient With Advanced C-met-positive Non-small Cell Lung Cancer).

CAS Number1642581-63-2
PubChem CID117797905
IUPAC Name6-(1-methylpyrazol-4-yl)-1-[6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]sulfonylpyrazolo[4,5-b]pyridine
Molecular FormulaC21H17N9O2S
Molecular Weight459.5
XLogP1.9
Topological Polar Surface Area126
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Heavy Atom Count33
Formal Charge0
Complexity825
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
Chemical Structure
2D Structure
2D structure of Gumarontinib
CAS: 1642581-63-2
CID: 117797905
Formula: C21H17N9O2S
MW: 459.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight459.5
XLogP31.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Exact Mass459.12259199
Monoisotopic Mass459.12259199
Topological Polar Surface Area126 Ų
Heavy Atom Count33
Formal Charge0
Complexity825
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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