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

Systemtic Name: 4-[[2-(5-chloranyl-2-fluoranyl-phenyl)-5-pyrrolidin-1-yl-pyrimidin-4-yl]amino]-N-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide Openeye Name: 4-[[2-(5-chloro-2-fluoro-phenyl)-5-pyrrolidin-1-yl-pyrimidin-4-yl]amino]-N-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide CAS Name: 4-[[2-(5-chloro-2-fluorophenyl)-5-(1-pyrrolidinyl)-4-pyrimidinyl]amino]-N-[2-(1-pyrrolidinyl)ethyl]-3-pyridinecarboxamide IUPAC Name: 4-[[2-(5-chloro-2-fluorophenyl)-5-pyrrolidin-1-ylpyrimidin-4-yl]amino]-N-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide Traditional Name: 4-[[2-(5-chloro-2-fluoro-phenyl)-5-pyrrolidino-pyrimidin-4-yl]amino]-N-(2-pyrrolidinoethyl)nicotinamide Formula: C26H29ClFN7O MolecularWeight: 510.006163

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CCNC(=O)C2=C(C=CN=C2)NC3=NC(=NC=C3N4CCCC4)C5=C(C=CC(=C5)Cl)F

Isomeric SMILES

C1CCN(C1)CCNC(=O)C2=C(C=CN=C2)NC3=NC(=NC=C3N4CCCC4)C5=C(C=CC(=C5)Cl)F

InChI

InChI=1S/C26H29ClFN7O/c27-18-5-6-21(28)19(15-18)24-31-17-23(35-12-3-4-13-35)25(33-24)32-22-7-8-29-16-20(22)26(36)30-9-14-34-10-1-2-11-34/h5-8,15-17H,1-4,9-14H2,(H,30,36)(H,29,31,32,33)