Act-1014-6470
2-(2,2-difluoropropyl)-5-[1-(2-fluoro-6-methylphenyl)piperidin-4-yl]-7-[[2-(trifluoromethyl)phenyl]methyl]-4H-pyrazolo[3,4-d]pyrimidin-6-one
Molecular Identity
Act-1014-6470
2-(2,2-difluoropropyl)-5-[1-(2-fluoro-6-methylphenyl)piperidin-4-yl]-7-[[2-(trifluoromethyl)phenyl]methyl]-4H-pyrazolo[3,4-d]pyrimidin-6-one
PubChem CID: 142620206
2D Structure
Properties
C28H29F6N5O
Molecular Formula
565.60
Molecular Weight
g/mol
565.2276
Exact Mass
Da
5.7
XLogP
Above Lipinski threshold
44.6
TPSA
Good oral absorption (< 140 A²)
0
H-Bond Donors
9
H-Bond Acceptors
884
Complexity
SMILES
Canonical SMILES
SMILES: CC1=C(C(=CC=C1)F)N2CCC(CC2)N3CC4=CN(N=C4N(C3=O)CC5=CC=CC=C5C(F)(F)F)CC(C)(F)FIsomeric SMILES
SMILES: CC1=C(C(=CC=C1)F)N2CCC(CC2)N3CC4=CN(N=C4N(C3=O)CC5=CC=CC=C5C(F)(F)F)CC(C)(F)FSynonyms(10)
ACT-1014-64702-(2,2-difluoropropyl)-5-[1-(2-fluoro-6-methylphenyl)piperidin-4-yl]-7-[[2-(trifluoromethyl)phenyl]methyl]-4H-pyrazolo[3,4-d]pyrimidin-6-one2-(2,2-difluoropropyl)-5-(1-(2-fluoro-6-methylphenyl)piperidin-4-yl)-7-((2-(trifluoromethyl)phenyl)methyl)-4H-pyrazolo(3,4-d)pyrimidin-6-oneRefChem:9150752-(2,2-difluoropropyl)-5-(1-(2-fluoro-6-methylphenyl)piperidin-4-yl)-7-(2-(trifluoro-methyl)benzyl)-2,4,5,7-tetrahydro-6H-pyrazolo(3,4-d)pyrimidin-6-oneIc-58SCHEMBL22653891GTPL12326YPWBQOVYMUEXJT-UHFFFAOYSA-Nexample 172 [WO2019137927A1]
Data from PubChem (NCBI)
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