(2S,3R)-1-[4-[7-[(2,4-dichlorophenyl)methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]phenyl]carbonyl-3-ethyl-pyrrolidine-2-carboxamide

Systemtic Name: (2S,3R)-1-[4-[7-[(2,4-dichlorophenyl)methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]phenyl]carbonyl-3-ethyl-pyrrolidine-2-carboxamide Openeye Name: (2S,3R)-1-[4-[7-[(2,4-dichlorophenyl)methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]benzoyl]-3-ethyl-pyrrolidine-2-carboxamide CAS Name: (2S,3R)-1-[[4-[7-[(2,4-dichlorophenyl)methylamino]-5-pyrazolo[1,5-a]pyrimidinyl]phenyl]-oxomethyl]-3-ethyl-2-pyrrolidinecarboxamide IUPAC Name: (2S,3R)-1-[4-[7-[(2,4-dichlorophenyl)methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]benzoyl]-3-ethylpyrrolidine-2-carboxamide Traditional Name: (2S,3R)-1-[4-[7-[(2,4-dichlorobenzyl)amino]pyrazolo[1,5-a]pyrimidin-5-yl]benzoyl]-3-ethyl-pyrrolidine-2-carboxamide Formula: C27H26Cl2N6O2 MolecularWeight: 537.44034

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCN(C1C(=O)N)C(=O)C2=CC=C(C=C2)C3=NC4=CC=NN4C(=C3)NCC5=C(C=C(C=C5)Cl)Cl

Isomeric SMILES

CC[C@@H]1CCN([C@@H]1C(=O)N)C(=O)C2=CC=C(C=C2)C3=NC4=CC=NN4C(=C3)NCC5=C(C=C(C=C5)Cl)Cl

InChI

InChI=1S/C27H26Cl2N6O2/c1-2-16-10-12-34(25(16)26(30)36)27(37)18-5-3-17(4-6-18)22-14-24(35-23(33-22)9-11-32-35)31-15-19-7-8-20(28)13-21(19)29/h3-9,11,13-14,16,25,31H,2,10,12,15H2,1H3,(H2,30,36)/t16-,25+/m1/s1