Molecules/3-((2-Aminopyridin-3-yl)ethynyl)-5-fluoro-N-(4-((4-methylpiperazin-1-yl)methyl)-3-(trifluoromethyl)phenyl)benzamide hydrochloride
3-((2-Aminopyridin-3-yl)ethynyl)-5-fluoro-N-(4-((4-methylpiperazin-1-yl)methyl)-3-(trifluoromethyl)phenyl)benzamide hydrochloride
3-[2-(2-amino-3-pyridinyl)ethynyl]-5-fluoro-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]benzamide;hydrochloride
Molecular Identity
3-((2-Aminopyridin-3-yl)ethynyl)-5-fluoro-N-(4-((4-methylpiperazin-1-yl)methyl)-3-(trifluoromethyl)phenyl)benzamide hydrochloride
3-[2-(2-amino-3-pyridinyl)ethynyl]-5-fluoro-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]benzamide;hydrochloride
PubChem CID: 167312405
2D Structure
Properties
C27H26ClF4N5O
Molecular Formula
548.00
Molecular Weight
g/mol
547.1762
Exact Mass
Da
74.5
TPSA
Good oral absorption (< 140 A²)
3
H-Bond Donors
9
H-Bond Acceptors
834
Complexity
SMILES
Canonical SMILES
SMILES: CN1CCN(CC1)CC2=C(C=C(C=C2)NC(=O)C3=CC(=CC(=C3)C#CC4=C(N=CC=C4)N)F)C(F)(F)F.ClIsomeric SMILES
SMILES: CN1CCN(CC1)CC2=C(C=C(C=C2)NC(=O)C3=CC(=CC(=C3)C#CC4=C(N=CC=C4)N)F)C(F)(F)F.ClSynonyms(7)
SYHA18152760195-67-13-((2-Aminopyridin-3-yl)ethynyl)-5-fluoro-N-(4-((4-methylpiperazin-1-yl)methyl)-3-(trifluoromethyl)phenyl)benzamide hydrochlorideorb2665490GLXC-26992HY-149451T200124
Data from PubChem (NCBI)
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Molecular Structure
3-((2-Aminopyridin-3-yl)ethynyl)-5-fluoro-N-(4-((4-methylpiperazin-1-yl)methyl)-3-(trifluoromethyl)phenyl)benzamide hydrochloride
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Drug Network
Trials and conditions connected to 3-((2-Aminopyridin-3-yl)ethynyl)-5-fluoro-N-(4-((4-methylpiperazin-1-yl)methyl)-3-(trifluoromethyl)phenyl)benzamide hydrochloride
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