5-chloranyl-6-[4-[6-(3-chloranyl-4-fluoranyl-phenyl)-2-(2-methylpyrrolidin-1-yl)pyrimidin-4-yl]piperazin-1-yl]pyridine-3-carboxylic acid

Systemtic Name: 5-chloranyl-6-[4-[6-(3-chloranyl-4-fluoranyl-phenyl)-2-(2-methylpyrrolidin-1-yl)pyrimidin-4-yl]piperazin-1-yl]pyridine-3-carboxylic acid Openeye Name: 5-chloro-6-[4-[6-(3-chloro-4-fluoro-phenyl)-2-(2-methylpyrrolidin-1-yl)pyrimidin-4-yl]piperazin-1-yl]pyridine-3-carboxylic acid CAS Name: 5-chloro-6-[4-[6-(3-chloro-4-fluorophenyl)-2-(2-methyl-1-pyrrolidinyl)-4-pyrimidinyl]-1-piperazinyl]-3-pyridinecarboxylic acid IUPAC Name: 5-chloro-6-[4-[6-(3-chloro-4-fluorophenyl)-2-(2-methylpyrrolidin-1-yl)pyrimidin-4-yl]piperazin-1-yl]pyridine-3-carboxylic acid Traditional Name: 5-chloro-6-[4-[6-(3-chloro-4-fluoro-phenyl)-2-(2-methylpyrrolidino)pyrimidin-4-yl]piperazino]nicotinic acid Formula: C25H25Cl2FN6O2 MolecularWeight: 531.409403

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN1C2=NC(=CC(=N2)N3CCN(CC3)C4=C(C=C(C=N4)C(=O)O)Cl)C5=CC(=C(C=C5)F)Cl

Isomeric SMILES

CC1CCCN1C2=NC(=CC(=N2)N3CCN(CC3)C4=C(C=C(C=N4)C(=O)O)Cl)C5=CC(=C(C=C5)F)Cl

InChI

InChI=1S/C25H25Cl2FN6O2/c1-15-3-2-6-34(15)25-30-21(16-4-5-20(28)18(26)11-16)13-22(31-25)32-7-9-33(10-8-32)23-19(27)12-17(14-29-23)24(35)36/h4-5,11-15H,2-3,6-10H2,1H3,(H,35,36)