Molecules/5-[4-[4-[[4-[6-[(2,4-difluorophenyl)methylamino]-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]methyl]phenyl]piperidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
5-[4-[4-[[4-[6-[(2,4-difluorophenyl)methylamino]-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]methyl]phenyl]piperidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
5-[4-[4-[[4-[6-[(2,4-difluorophenyl)methylamino]-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]methyl]phenyl]piperidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
Molecular Identity
5-[4-[4-[[4-[6-[(2,4-difluorophenyl)methylamino]-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]methyl]phenyl]piperidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
5-[4-[4-[[4-[6-[(2,4-difluorophenyl)methylamino]-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]methyl]phenyl]piperidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
PubChem CID: 172442557
2D Structure
Properties
C46H46F2N12O4
Molecular Formula
868.90
Molecular Weight
g/mol
868.3733
Exact Mass
Da
5.7
XLogP
Above Lipinski threshold
186
TPSA
May have limited oral absorption
4
H-Bond Donors
14
H-Bond Acceptors
1680
Complexity
SMILES
Canonical SMILES
SMILES: CC1=CC(=NN1)NC2=C3C=NN(C3=NC(=N2)NCC4=C(C=C(C=C4)F)F)C5CCN(CC5)CC6=CC=C(C=C6)C7CCN(CC7)C8=CC9=C(C=C8)C(=O)N(C9=O)C1CCC(=O)NC1=OIsomeric SMILES
SMILES: CC1=CC(=NN1)NC2=C3C=NN(C3=NC(=N2)NCC4=C(C=C(C=C4)F)F)C5CCN(CC5)CC6=CC=C(C=C6)C7CCN(CC7)C8=CC9=C(C=C8)C(=O)N(C9=O)C1CCC(=O)NC1=OSynonyms(3)
CHEMBL5394971SP16BDBM50622599
Data from PubChem (NCBI)
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Molecular Structure
5-[4-[4-[[4-[6-[(2,4-difluorophenyl)methylamino]-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]methyl]phenyl]piperidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
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Drug Network
Trials and conditions connected to 5-[4-[4-[[4-[6-[(2,4-difluorophenyl)methylamino]-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]methyl]phenyl]piperidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
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