Vepugratinib
4-[4-[3-chloro-4-[(1S)-1-(5-fluoro-2-pyridinyl)-2-hydroxyethoxy]pyrazolo[1,5-a]pyridin-6-yl]-5-methyltriazol-1-yl]piperidine-1-carbonitrile
Molecular Identity
Vepugratinib
4-[4-[3-chloro-4-[(1S)-1-(5-fluoro-2-pyridinyl)-2-hydroxyethoxy]pyrazolo[1,5-a]pyridin-6-yl]-5-methyltriazol-1-yl]piperidine-1-carbonitrile
PubChem CID: 171074967
2D Structure
Properties
C23H22ClFN8O2
Molecular Formula
496.90
Molecular Weight
g/mol
496.1538
Exact Mass
Da
2.2
XLogP
Drug-like (Lipinski: < 5)
117
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
9
H-Bond Acceptors
767
Complexity
SMILES
Canonical SMILES
SMILES: CC1=C(N=NN1C2CCN(CC2)C#N)C3=CN4C(=C(C=N4)Cl)C(=C3)OC(CO)C5=NC=C(C=C5)FIsomeric SMILES
SMILES: CC1=C(N=NN1C2CCN(CC2)C#N)C3=CN4C(=C(C=N4)Cl)C(=C3)O[C@H](CO)C5=NC=C(C=C5)FSynonyms(20)
VepugratinibLOXO-4352833703-74-3CHEMBL6168351Vepugratinib (USAN)VEPUGRATINIB [USAN]4-[4-[3-chloro-4-[(1S)-1-(5-fluoro-2-pyridinyl)-2-hydroxyethoxy]pyrazolo[1,5-a]pyridin-6-yl]-5-methyltriazol-1-yl]piperidine-1-carbonitrilevepugratinib [INN]SN3C4ZE59PLOXO435LOXO 435 [WHO-DD]GTPL14366LY3866288 anhydrous free baseLY-3866288 anhydrous free baseBDBM50658849
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Vepugratinib
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