(1R,2R)-1-[[5-[[3,4-bis(fluoranyl)phenyl]methylcarbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]carbonylamino]-2-oxidanyl-2,3-dihydro-1H-indene-5-carboxylic acid

Systemtic Name: (1R,2R)-1-[[5-[[3,4-bis(fluoranyl)phenyl]methylcarbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]carbonylamino]-2-oxidanyl-2,3-dihydro-1H-indene-5-carboxylic acid Openeye Name: (1R,2R)-1-[[5-[(3,4-difluorophenyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-2-hydroxy-indane-5-carboxylic acid CAS Name: (1R,2R)-1-[[[5-[[(3,4-difluorophenyl)methylamino]-oxomethyl]-7-pyrazolo[1,5-a]pyrimidinyl]-oxomethyl]amino]-2-hydroxy-2,3-dihydro-1H-indene-5-carboxylic acid IUPAC Name: (1R,2R)-1-[[5-[(3,4-difluorophenyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-2-hydroxy-2,3-dihydro-1H-indene-5-carboxylic acid Traditional Name: (1R,2R)-1-[[5-[(3,4-difluorobenzyl)carbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-2-hydroxy-indane-5-carboxylic acid Formula: C25H19F2N5O5 MolecularWeight: 507.445666

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(C(C2=C1C=C(C=C2)C(=O)O)NC(=O)C3=CC(=NC4=CC=NN43)C(=O)NCC5=CC(=C(C=C5)F)F)O

Isomeric SMILES

C1[C@H]([C@@H](C2=C1C=C(C=C2)C(=O)O)NC(=O)C3=CC(=NC4=CC=NN43)C(=O)NCC5=CC(=C(C=C5)F)F)O

InChI

InChI=1S/C25H19F2N5O5/c26-16-4-1-12(7-17(16)27)11-28-23(34)18-10-19(32-21(30-18)5-6-29-32)24(35)31-22-15-3-2-13(25(36)37)8-14(15)9-20(22)33/h1-8,10,20,22,33H,9,11H2,(H,28,34)(H,31,35)(H,36,37)/t20-,22-/m1/s1