3-[oxan-4-yl-[4-(trifluoromethyl)cyclohexyl]carbonyl-amino]-5-(4-pyrazolo[1,5-a]pyrimidin-2-ylphenyl)thiophene-2-carboxylic acid

Systemtic Name: 3-[oxan-4-yl-[4-(trifluoromethyl)cyclohexyl]carbonyl-amino]-5-(4-pyrazolo[1,5-a]pyrimidin-2-ylphenyl)thiophene-2-carboxylic acid Openeye Name: 5-(4-pyrazolo[1,5-a]pyrimidin-2-ylphenyl)-3-[tetrahydropyran-4-yl-[4-(trifluoromethyl)cyclohexanecarbonyl]amino]thiophene-2-carboxylic acid CAS Name: 3-[4-oxanyl-[oxo-[4-(trifluoromethyl)cyclohexyl]methyl]amino]-5-[4-(2-pyrazolo[1,5-a]pyrimidinyl)phenyl]-2-thiophenecarboxylic acid IUPAC Name: 3-[oxan-4-yl-[4-(trifluoromethyl)cyclohexanecarbonyl]amino]-5-(4-pyrazolo[1,5-a]pyrimidin-2-ylphenyl)thiophene-2-carboxylic acid Traditional Name: 5-(4-pyrazolo[1,5-a]pyrimidin-2-ylphenyl)-3-[tetrahydropyran-4-yl-[4-(trifluoromethyl)cyclohexanecarbonyl]amino]-2-thenoic acid Formula: C30H29F3N4O4S MolecularWeight: 598.63587

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1C(=O)N(C2CCOCC2)C3=C(SC(=C3)C4=CC=C(C=C4)C5=NN6C=CC=NC6=C5)C(=O)O)C(F)(F)F

Isomeric SMILES

C1CC(CCC1C(=O)N(C2CCOCC2)C3=C(SC(=C3)C4=CC=C(C=C4)C5=NN6C=CC=NC6=C5)C(=O)O)C(F)(F)F

InChI

InChI=1S/C30H29F3N4O4S/c31-30(32,33)21-8-6-20(7-9-21)28(38)37(22-10-14-41-15-11-22)24-17-25(42-27(24)29(39)40)19-4-2-18(3-5-19)23-16-26-34-12-1-13-36(26)35-23/h1-5,12-13,16-17,20-22H,6-11,14-15H2,(H,39,40)