Vebreltinib
6-(1-cyclopropylpyrazol-4-yl)-3-[difluoro-(6-fluoro-2-methylindazol-5-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazine
Molecular Identity
Vebreltinib
6-(1-cyclopropylpyrazol-4-yl)-3-[difluoro-(6-fluoro-2-methylindazol-5-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID: 72202701
2D Structure
Properties
C20H15F3N8
Molecular Formula
424.40
Molecular Weight
g/mol
424.1372
Exact Mass
Da
2.1
XLogP
Drug-like (Lipinski: < 5)
78.7
TPSA
Good oral absorption (< 140 A²)
0
H-Bond Donors
8
H-Bond Acceptors
681
Complexity
SMILES
Canonical SMILES
SMILES: CN1C=C2C=C(C(=CC2=N1)F)C(C3=NN=C4N3N=C(C=C4)C5=CN(N=C5)C6CC6)(F)FIsomeric SMILES
SMILES: CN1C=C2C=C(C(=CC2=N1)F)C(C3=NN=C4N3N=C(C=C4)C5=CN(N=C5)C6CC6)(F)FSynonyms(20)
BozitinibVebreltinibPLB-1001APL-101Vebreltinib [USAN]6-(1-cyclopropylpyrazol-4-yl)-3-[difluoro-(6-fluoro-2-methylindazol-5-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazine2WZP8A9VFNCBI-3103CBT-101VEBRELTINIB [INN]VEBRELTINIB [WHO-DD]PLB1001Vebreltinib (USAN)6-(1-cyclopropylpyrazol-4-yl)-3-(difluoro-(6-fluoro-2-methylindazol-5-yl)methyl)-(1,2,4)triazolo(4,3-b)pyridazineRefChem:193883
Data from PubChem (NCBI)
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