(2S)-1-[4-[7-[(2,4-dichlorophenyl)methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]phenyl]carbonyl-2-methyl-pyrrolidine-2-carboxylic acid

Systemtic Name: (2S)-1-[4-[7-[(2,4-dichlorophenyl)methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]phenyl]carbonyl-2-methyl-pyrrolidine-2-carboxylic acid Openeye Name: (2S)-1-[4-[7-[(2,4-dichlorophenyl)methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]benzoyl]-2-methyl-pyrrolidine-2-carboxylic acid CAS Name: (2S)-1-[[4-[7-[(2,4-dichlorophenyl)methylamino]-5-pyrazolo[1,5-a]pyrimidinyl]phenyl]-oxomethyl]-2-methyl-2-pyrrolidinecarboxylic acid IUPAC Name: (2S)-1-[4-[7-[(2,4-dichlorophenyl)methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]benzoyl]-2-methylpyrrolidine-2-carboxylic acid Traditional Name: (2S)-1-[4-[7-[(2,4-dichlorobenzyl)amino]pyrazolo[1,5-a]pyrimidin-5-yl]benzoyl]-2-methyl-proline Formula: C26H23Cl2N5O3 MolecularWeight: 524.39852

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCCN1C(=O)C2=CC=C(C=C2)C3=NC4=CC=NN4C(=C3)NCC5=C(C=C(C=C5)Cl)Cl)C(=O)O

Isomeric SMILES

C[C@]1(CCCN1C(=O)C2=CC=C(C=C2)C3=NC4=CC=NN4C(=C3)NCC5=C(C=C(C=C5)Cl)Cl)C(=O)O

InChI

InChI=1S/C26H23Cl2N5O3/c1-26(25(35)36)10-2-12-32(26)24(34)17-5-3-16(4-6-17)21-14-23(33-22(31-21)9-11-30-33)29-15-18-7-8-19(27)13-20(18)28/h3-9,11,13-14,29H,2,10,12,15H2,1H3,(H,35,36)/t26-/m0/s1