Vanoglipel
3-[4-[3-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]propoxy]-2,6-difluorophenyl]-5-propan-2-yl-1,2,4-oxadiazole
Molecular Identity
Vanoglipel
3-[4-[3-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]propoxy]-2,6-difluorophenyl]-5-propan-2-yl-1,2,4-oxadiazole
PubChem CID: 121304331
2D Structure
Properties
C25H31F2N5O2
Molecular Formula
471.50
Molecular Weight
g/mol
471.2446
Exact Mass
Da
5.8
XLogP
Above Lipinski threshold
77.2
TPSA
Good oral absorption (< 140 A²)
0
H-Bond Donors
9
H-Bond Acceptors
590
Complexity
SMILES
Canonical SMILES
SMILES: CCC1=CN=C(N=C1)N2CCC(CC2)CCCOC3=CC(=C(C(=C3)F)C4=NOC(=N4)C(C)C)FIsomeric SMILES
SMILES: CCC1=CN=C(N=C1)N2CCC(CC2)CCCOC3=CC(=C(C(=C3)F)C4=NOC(=N4)C(C)C)FSynonyms(20)
Vanoglipel1914136-10-9DA-1241Vanoglipel (USAN)DA1241VANOGLIPEL [USAN]2-[4-[3-[3,5-Difluoro-4-[5-(1-methylethyl)-1,2,4-oxadiazol-3-yl]phenoxy]propyl]-1-piperidinyl]-5-ethylpyrimidine3-[4-[3-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]propoxy]-2,6-difluorophenyl]-5-propan-2-yl-1,2,4-oxadiazolevanoglipel [INN]orb3028725CHEMBL6172795SCHEMBL17712633GTPL143656380I4YM3QAT50997
Data from PubChem (NCBI)
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