4-[[2-(5-chloranyl-2-fluoranyl-phenyl)-5-pyrrolidin-1-yl-pyrimidin-4-yl]amino]-N-cyclopropyl-pyridine-3-carboxamide

Systemtic Name: 4-[[2-(5-chloranyl-2-fluoranyl-phenyl)-5-pyrrolidin-1-yl-pyrimidin-4-yl]amino]-N-cyclopropyl-pyridine-3-carboxamide Openeye Name: 4-[[2-(5-chloro-2-fluoro-phenyl)-5-pyrrolidin-1-yl-pyrimidin-4-yl]amino]-N-cyclopropyl-pyridine-3-carboxamide CAS Name: 4-[[2-(5-chloro-2-fluorophenyl)-5-(1-pyrrolidinyl)-4-pyrimidinyl]amino]-N-cyclopropyl-3-pyridinecarboxamide IUPAC Name: 4-[[2-(5-chloro-2-fluorophenyl)-5-pyrrolidin-1-ylpyrimidin-4-yl]amino]-N-cyclopropylpyridine-3-carboxamide Traditional Name: 4-[[2-(5-chloro-2-fluoro-phenyl)-5-pyrrolidino-pyrimidin-4-yl]amino]-N-cyclopropyl-nicotinamide Formula: C23H22ClFN6O MolecularWeight: 452.911783

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=CN=C(N=C2NC3=C(C=NC=C3)C(=O)NC4CC4)C5=C(C=CC(=C5)Cl)F

Isomeric SMILES

C1CCN(C1)C2=CN=C(N=C2NC3=C(C=NC=C3)C(=O)NC4CC4)C5=C(C=CC(=C5)Cl)F

InChI

InChI=1S/C23H22ClFN6O/c24-14-3-6-18(25)16(11-14)21-27-13-20(31-9-1-2-10-31)22(30-21)29-19-7-8-26-12-17(19)23(32)28-15-4-5-15/h3,6-8,11-13,15H,1-2,4-5,9-10H2,(H,28,32)(H,26,27,29,30)