2-(cyclopropylamino)-5-fluoranyl-4-(3-methylpiperazin-1-yl)pyridine-3-carboxylic acid

Systemtic Name: 2-(cyclopropylamino)-5-fluoranyl-4-(3-methylpiperazin-1-yl)pyridine-3-carboxylic acid Openeye Name: 2-(cyclopropylamino)-5-fluoro-4-(3-methylpiperazin-1-yl)pyridine-3-carboxylic acid CAS Name: 2-(cyclopropylamino)-5-fluoro-4-(3-methyl-1-piperazinyl)-3-pyridinecarboxylic acid IUPAC Name: 2-(cyclopropylamino)-5-fluoro-4-(3-methylpiperazin-1-yl)pyridine-3-carboxylic acid Traditional Name: 2-(cyclopropylamino)-5-fluoro-4-(3-methylpiperazino)nicotinic acid Formula: C14H19FN4O2 MolecularWeight: 294.324663

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1)C2=C(C(=NC=C2F)NC3CC3)C(=O)O

Isomeric SMILES

CC1CN(CCN1)C2=C(C(=NC=C2F)NC3CC3)C(=O)O

InChI

InChI=1S/C14H19FN4O2/c1-8-7-19(5-4-16-8)12-10(15)6-17-13(11(12)14(20)21)18-9-2-3-9/h6,8-9,16H,2-5,7H2,1H3,(H,17,18)(H,20,21)