Ensartinib
6-amino-5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-N-[4-[(3R,5S)-3,5-dimethylpiperazine-1-carbonyl]phenyl]pyridazine-3-carboxamide
Molecular Identity
Ensartinib
6-amino-5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-N-[4-[(3R,5S)-3,5-dimethylpiperazine-1-carbonyl]phenyl]pyridazine-3-carboxamide
PubChem CID: 56960363
2D Structure
Properties
C26H27Cl2FN6O3
Molecular Formula
561.40
Molecular Weight
g/mol
560.1506
Exact Mass
Da
3.6
XLogP
Drug-like (Lipinski: < 5)
122
TPSA
Good oral absorption (< 140 A²)
3
H-Bond Donors
8
H-Bond Acceptors
812
Complexity
SMILES
Canonical SMILES
SMILES: CC1CN(CC(N1)C)C(=O)C2=CC=C(C=C2)NC(=O)C3=NN=C(C(=C3)OC(C)C4=C(C=CC(=C4Cl)F)Cl)NIsomeric SMILES
SMILES: C[C@@H]1CN(C[C@@H](N1)C)C(=O)C2=CC=C(C=C2)NC(=O)C3=NN=C(C(=C3)O[C@H](C)C4=C(C=CC(=C4Cl)F)Cl)NSynonyms(20)
ensartinib1370651-20-9SMA5ZS5B223-Pyridazinecarboxamide, 6-amino-5-((1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy)-N-(4-(((3R,5S)-3,5-dimethyl-1-piperazinyl)carbonyl)phenyl)6-amino-5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-N-[4-[(3R,5S)-3,5-dimethylpiperazine-1-carbonyl]phenyl]pyridazine-3-carboxamide6-amino-5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-N-{4-[(3R,5S)-3,5-dimethylpiperazine-1-carbonyl]phenyl}pyridazine-3-carboxamideensartinibum6-AMINO-5-((1R)-1-(2,6-DICHLORO-3-FLUOROPHENYL)ETHOXY)-N-(4-((3R,5S)-3,5-DIMETHYLPIPERAZINE-1-CARBONYL)PHENYL)PYRIDAZINE-3-CARBOXAMIDERefChem:1369926-amino-5-((1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy)-N-(4-(4-methylpiperazine-1-carbonyl)phenyl)pyridazine-3-carboxamideEnsartinib (X-396)X396Ensartinib [INN]Ensartinib (USAN)6-amino-5-((R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy)-N-(4-((3R,5S)-3,5-dimethylpiperazine-1-carbonyl)phenyl)pyridazine-3-carboxamide
Data from PubChem (NCBI)
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