Atamparib
4-[[(2S)-1-[3-oxo-3-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]propoxy]propan-2-yl]amino]-5-(trifluoromethyl)-1H-pyridazin-6-one
Molecular Identity
Atamparib
4-[[(2S)-1-[3-oxo-3-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]propoxy]propan-2-yl]amino]-5-(trifluoromethyl)-1H-pyridazin-6-one
PubChem CID: 146047148
2D Structure
Properties
C20H23F6N7O3
Molecular Formula
523.40
Molecular Weight
g/mol
523.1767
Exact Mass
Da
1.2
XLogP
Drug-like (Lipinski: < 5)
112
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
14
H-Bond Acceptors
848
Complexity
SMILES
Canonical SMILES
SMILES: CC(COCCC(=O)N1CCN(CC1)C2=NC=C(C=N2)C(F)(F)F)NC3=C(C(=O)NN=C3)C(F)(F)FIsomeric SMILES
SMILES: C[C@@H](COCCC(=O)N1CCN(CC1)C2=NC=C(C=N2)C(F)(F)F)NC3=C(C(=O)NN=C3)C(F)(F)FSynonyms(20)
RBN-2397AtamparibAtamparib [INN]RBN23974-[[(2S)-1-[3-oxo-3-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]propoxy]propan-2-yl]amino]-5-(trifluoromethyl)-1H-pyridazin-6-oneB1MW2ME77ARbn 23973(2H)-Pyridazinone, 5-(((1S)-1-methyl-2-(3-oxo-3-(4-(5-(trifluoromethyl)-2-pyrimidinyl)-1-piperazinyl)propoxy)ethyl)amino)-4-(trifluoromethyl)-5-{[(2S)-1-(3-oxo-3-{4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl}propoxy)propan-2-yl]amino}-4-(trifluoromethyl)pyridazin-3(2H)-one3(2H)-Pyridazinone, 5-[[(1S)-1-methyl-2-[3-oxo-3-[4-[5-(trifluoromethyl)-2-pyrimidinyl]-1-piperazinyl]propoxy]ethyl]amino]-4-(trifluoromethyl)-4-(((2S)-1-(3-oxo-3-(4-(5-(trifluoromethyl)pyrimidin-2-yl)piperazin-1-yl)propoxy)propan-2-yl)amino)-5-(trifluoromethyl)-1H-pyridazin-6-one5-(((2S)-1-(3-OXO-3-(4-(5-(TRIFLUOROMETHYL)PYRIMIDIN-2-YL)PIPERAZIN-1-YL)PROPOXY)PROPAN-2-YL)AMINO)-4-(TRIFLUOROMETHYL)PYRIDAZIN-3(2H)-ONERefChem:115402PARP7 Inhibitor RBN-23972381037-82-5
Data from PubChem (NCBI)
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