BI 894999
2,4-dimethyl-6-[6-(oxan-4-yl)-1-[(1S)-1-phenylethyl]imidazo[4,5-c]pyridin-2-yl]pyridazin-3-one
Molecular Identity
BI 894999
2,4-dimethyl-6-[6-(oxan-4-yl)-1-[(1S)-1-phenylethyl]imidazo[4,5-c]pyridin-2-yl]pyridazin-3-one
PubChem CID: 90647162
2D Structure
Properties
C25H27N5O2
Molecular Formula
429.50
Molecular Weight
g/mol
429.2165
Exact Mass
Da
3
XLogP
Drug-like (Lipinski: < 5)
72.6
TPSA
Good oral absorption (< 140 A²)
0
H-Bond Donors
5
H-Bond Acceptors
755
Complexity
SMILES
Canonical SMILES
SMILES: CC1=CC(=NN(C1=O)C)C2=NC3=CN=C(C=C3N2C(C)C4=CC=CC=C4)C5CCOCC5Isomeric SMILES
SMILES: CC1=CC(=NN(C1=O)C)C2=NC3=CN=C(C=C3N2[C@@H](C)C4=CC=CC=C4)C5CCOCC5Synonyms(20)
BI 894999RefChem:917135BRD4 Inhibitor-101660117-38-3(S)-2,4-Dimethyl-6-(1-(1-phenylethyl)-6-(tetrahydro-2H-pyran-4-yl)-1H-imidazo[4,5-c]pyridin-2-yl)pyridazin-3(2H)-one2,4-dimethyl-6-[6-(oxan-4-yl)-1-[(1S)-1-phenylethyl]imidazo[4,5-c]pyridin-2-yl]pyridazin-3-oneBET BRD4 inhibitor compound II-25MFCD320679153(2H)-Pyridazinone, 2,4-dimethyl-6-[1-[(1S)-1-phenylethyl]-6-(tetrahydro-2H-pyran-4-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-(S)-2,4-Dimethyl-6-[1-(1-phenylethyl)-6-(tetrahydro-2H-pyran-4-yl)-1H-imidazo[4,5-c]pyridin-2-yl]pyridazin-3(2H)-oneA1D6Jorb1308525CHEMBL3787279SCHEMBL16489493SCHEMBL30298708
Data from PubChem (NCBI)
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