Gandotinib
3-[(4-chloro-2-fluorophenyl)methyl]-2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-8-(morpholin-4-ylmethyl)imidazo[1,2-b]pyridazin-6-amine
Molecular Identity
Gandotinib
3-[(4-chloro-2-fluorophenyl)methyl]-2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-8-(morpholin-4-ylmethyl)imidazo[1,2-b]pyridazin-6-amine
PubChem CID: 46213929
Gandotinib is a member of pyridazines.
2D Structure
Properties
C23H25ClFN7O
Molecular Formula
469.90
Molecular Weight
g/mol
469.1793
Exact Mass
Da
3.8
XLogP
Drug-like (Lipinski: < 5)
83.4
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
7
H-Bond Acceptors
644
Complexity
SMILES
Canonical SMILES
SMILES: CC1=CC(=NN1)NC2=NN3C(=C(N=C3C(=C2)CN4CCOCC4)C)CC5=C(C=C(C=C5)Cl)FIsomeric SMILES
SMILES: CC1=CC(=NN1)NC2=NN3C(=C(N=C3C(=C2)CN4CCOCC4)C)CC5=C(C=C(C=C5)Cl)FSynonyms(20)
GANDOTINIB1229236-86-5LY2784544LY 2784544LY-27845443-(4-chloro-2-fluorobenzyl)-2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-8-(morpholinomethyl)imidazo[1,2-b]pyridazin-6-amineANC71R916OImidazo[1,2-b]pyridazin-6-amine, 3-[(4-chloro-2-fluorophenyl)methyl]-2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-8-(4-morpholinylmethyl)-DTXSID201537893-[(4-chloro-2-fluorophenyl)methyl]-2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-8-(morpholin-4-ylmethyl)imidazo[1,2-b]pyridazin-6-amine3-(4-chloro-2-fluorobenzyl)-2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-8-(morpholinomethyl)imidazo(1,2-b)pyridazin-6-aminegandotinibum3-((4-CHLORO-2-FLUOROPHENYL)METHYL)-2-METHYL-N-(5-METHYL-1H-PYRAZOL-3-YL)-8-(MORPHOLIN-4-YLMETHYL)IMIDAZO(1,2-B)PYRIDAZIN-6-AMINEIMIDAZO(1,2-B)PYRIDAZIN-6-AMINE, 3-((4-CHLORO-2-FLUOROPHENYL)METHYL)-2-METHYL-N-(5-METHYL-1H-PYRAZOL-3-YL)-8-(4-MORPHOLINYLMETHYL)-RefChem:142388
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Gandotinib
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