About N-[5-(3-amino-1,1,1-trifluoro-2-hydroxypropan-2-yl)-7-chloro-3-methyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[7-chloro-3-methyl-5-[1,1,1-trifluoro-2-hydroxy-5-[4-(2-hydroxyethyl)-2,3-dihydro-1,4-benzoxazin-7-yl]-5-oxopentan-2-yl]-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[7-(4-fluorophenyl)-3-methyl-5-[1,1,1-trifluoro-2-hydroxy-5-[4-(2-hydroxyethyl)-2,3-dihydro-1,4-benzoxazin-7-yl]-5-oxopentan-2-yl]-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;4-(2-hydroxyethyl)-2,3-dihydro-1,4-benzoxazine-7-carboxylic acid;methyl 4-(2-hydroxyethyl)-2,3-dihydro-1,4-benzoxazine-7-carboxylate;methyl 4-(2-hydroxyethyl)-3-oxo-1,4-benzoxazine-7-carboxylate;methyl 3-oxo-4H-1,4-benzoxazine-7-carboxylate
N-[5-(3-amino-1,1,1-trifluoro-2-hydroxypropan-2-yl)-7-chloro-3-methyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[7-chloro-3-methyl-5-[1,1,1-trifluoro-2-hydroxy-5-[4-(2-hydroxyethyl)-2,3-dihydro-1,4-benzoxazin-7-yl]-5-oxopentan-2-yl]-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[7-(4-fluorophenyl)-3-methyl-5-[1,1,1-trifluoro-2-hydroxy-5-[4-(2-hydroxyethyl)-2,3-dihydro-1,4-benzoxazin-7-yl]-5-oxopentan-2-yl]-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;4-(2-hydroxyethyl)-2,3-dihydro-1,4-benzoxazine-7-carboxylic acid;methyl 4-(2-hydroxyethyl)-2,3-dihydro-1,4-benzoxazine-7-carboxylate;methyl 4-(2-hydroxyethyl)-3-oxo-1,4-benzoxazine-7-carboxylate;methyl 3-oxo-4H-1,4-benzoxazine-7-carboxylate (PubChem CID 158768211) has the molecular formula C120H141Cl2F10N13O32S3
and a molecular weight of 2634.59 g/mol. Its IUPAC name is N-[5-(3-amino-1,1,1-trifluoro-2-hydroxypropan-2-yl)-7-chloro-3-methyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[7-chloro-3-methyl-5-[1,1,1-trifluoro-2-hydroxy-5-[4-(2-hydroxyethyl)-2,3-dihydro-1,4-benzoxazin-7-yl]-5-oxopentan-2-yl]-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[7-(4-fluorophenyl)-3-methyl-5-[1,1,1-trifluoro-2-hydroxy-5-[4-(2-hydroxyethyl)-2,3-dihydro-1,4-benzoxazin-7-yl]-5-oxopentan-2-yl]-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;4-(2-hydroxyethyl)-2,3-dihydro-1,4-benzoxazine-7-carboxylic acid;methyl 4-(2-hydroxyethyl)-2,3-dihydro-1,4-benzoxazine-7-carboxylate;methyl 4-(2-hydroxyethyl)-3-oxo-1,4-benzoxazine-7-carboxylate;methyl 3-oxo-4H-1,4-benzoxazine-7-carboxylate.
Frequently Asked Questions
What is the IUPAC name of N-[5-(3-amino-1,1,1-trifluoro-2-hydroxypropan-2-yl)-7-chloro-3-methyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[7-chloro-3-methyl-5-[1,1,1-trifluoro-2-hydroxy-5-[4-(2-hydroxyethyl)-2,3-dihydro-1,4-benzoxazin-7-yl]-5-oxopentan-2-yl]-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[7-(4-fluorophenyl)-3-methyl-5-[1,1,1-trifluoro-2-hydroxy-5-[4-(2-hydroxyethyl)-2,3-dihydro-1,4-benzoxazin-7-yl]-5-oxopentan-2-yl]-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;4-(2-hydroxyethyl)-2,3-dihydro-1,4-benzoxazine-7-carboxylic acid;methyl 4-(2-hydroxyethyl)-2,3-dihydro-1,4-benzoxazine-7-carboxylate;methyl 4-(2-hydroxyethyl)-3-oxo-1,4-benzoxazine-7-carboxylate;methyl 3-oxo-4H-1,4-benzoxazine-7-carboxylate?
The IUPAC name of N-[5-(3-amino-1,1,1-trifluoro-2-hydroxypropan-2-yl)-7-chloro-3-methyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[7-chloro-3-methyl-5-[1,1,1-trifluoro-2-hydroxy-5-[4-(2-hydroxyethyl)-2,3-dihydro-1,4-benzoxazin-7-yl]-5-oxopentan-2-yl]-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[7-(4-fluorophenyl)-3-methyl-5-[1,1,1-trifluoro-2-hydroxy-5-[4-(2-hydroxyethyl)-2,3-dihydro-1,4-benzoxazin-7-yl]-5-oxopentan-2-yl]-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;4-(2-hydroxyethyl)-2,3-dihydro-1,4-benzoxazine-7-carboxylic acid;methyl 4-(2-hydroxyethyl)-2,3-dihydro-1,4-benzoxazine-7-carboxylate;methyl 4-(2-hydroxyethyl)-3-oxo-1,4-benzoxazine-7-carboxylate;methyl 3-oxo-4H-1,4-benzoxazine-7-carboxylate (CID 158768211) is N-[5-(3-amino-1,1,1-trifluoro-2-hydroxypropan-2-yl)-7-chloro-3-methyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[7-chloro-3-methyl-5-[1,1,1-trifluoro-2-hydroxy-5-[4-(2-hydroxyethyl)-2,3-dihydro-1,4-benzoxazin-7-yl]-5-oxopentan-2-yl]-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[7-(4-fluorophenyl)-3-methyl-5-[1,1,1-trifluoro-2-hydroxy-5-[4-(2-hydroxyethyl)-2,3-dihydro-1,4-benzoxazin-7-yl]-5-oxopentan-2-yl]-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;4-(2-hydroxyethyl)-2,3-dihydro-1,4-benzoxazine-7-carboxylic acid;methyl 4-(2-hydroxyethyl)-2,3-dihydro-1,4-benzoxazine-7-carboxylate;methyl 4-(2-hydroxyethyl)-3-oxo-1,4-benzoxazine-7-carboxylate;methyl 3-oxo-4H-1,4-benzoxazine-7-carboxylate.
What is the SMILES notation for N-[5-(3-amino-1,1,1-trifluoro-2-hydroxypropan-2-yl)-7-chloro-3-methyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[7-chloro-3-methyl-5-[1,1,1-trifluoro-2-hydroxy-5-[4-(2-hydroxyethyl)-2,3-dihydro-1,4-benzoxazin-7-yl]-5-oxopentan-2-yl]-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[7-(4-fluorophenyl)-3-methyl-5-[1,1,1-trifluoro-2-hydroxy-5-[4-(2-hydroxyethyl)-2,3-dihydro-1,4-benzoxazin-7-yl]-5-oxopentan-2-yl]-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;4-(2-hydroxyethyl)-2,3-dihydro-1,4-benzoxazine-7-carboxylic acid;methyl 4-(2-hydroxyethyl)-2,3-dihydro-1,4-benzoxazine-7-carboxylate;methyl 4-(2-hydroxyethyl)-3-oxo-1,4-benzoxazine-7-carboxylate;methyl 3-oxo-4H-1,4-benzoxazine-7-carboxylate?
The canonical SMILES for N-[5-(3-amino-1,1,1-trifluoro-2-hydroxypropan-2-yl)-7-chloro-3-methyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[7-chloro-3-methyl-5-[1,1,1-trifluoro-2-hydroxy-5-[4-(2-hydroxyethyl)-2,3-dihydro-1,4-benzoxazin-7-yl]-5-oxopentan-2-yl]-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[7-(4-fluorophenyl)-3-methyl-5-[1,1,1-trifluoro-2-hydroxy-5-[4-(2-hydroxyethyl)-2,3-dihydro-1,4-benzoxazin-7-yl]-5-oxopentan-2-yl]-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;4-(2-hydroxyethyl)-2,3-dihydro-1,4-benzoxazine-7-carboxylic acid;methyl 4-(2-hydroxyethyl)-2,3-dihydro-1,4-benzoxazine-7-carboxylate;methyl 4-(2-hydroxyethyl)-3-oxo-1,4-benzoxazine-7-carboxylate;methyl 3-oxo-4H-1,4-benzoxazine-7-carboxylate is CC1(NS(=O)C(C)(C)C)COc2c1cc(C(O)(CCC(=O)c1ccc3c(c1)OCCN3CCO)C(F)(F)F)nc2-c1ccc(F)cc1.CC1(NS(=O)C(C)(C)C)COc2c1cc(C(O)(CCC(=O)c1ccc3c(c1)OCCN3CCO)C(F)(F)F)nc2Cl.CC1(NS(=O)C(C)(C)C)COc2c1cc(C(O)(CN)C(F)(F)F)nc2Cl.COC(=O)c1ccc2c(c1)OCC(=O)N2.COC(=O)c1ccc2c(c1)OCC(=O)N2CCO.COC(=O)c1ccc2c(c1)OCCN2CCO.O=C(O)c1ccc2c(c1)OCCN2CCO.
What is the InChIKey of N-[5-(3-amino-1,1,1-trifluoro-2-hydroxypropan-2-yl)-7-chloro-3-methyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[7-chloro-3-methyl-5-[1,1,1-trifluoro-2-hydroxy-5-[4-(2-hydroxyethyl)-2,3-dihydro-1,4-benzoxazin-7-yl]-5-oxopentan-2-yl]-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[7-(4-fluorophenyl)-3-methyl-5-[1,1,1-trifluoro-2-hydroxy-5-[4-(2-hydroxyethyl)-2,3-dihydro-1,4-benzoxazin-7-yl]-5-oxopentan-2-yl]-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;4-(2-hydroxyethyl)-2,3-dihydro-1,4-benzoxazine-7-carboxylic acid;methyl 4-(2-hydroxyethyl)-2,3-dihydro-1,4-benzoxazine-7-carboxylate;methyl 4-(2-hydroxyethyl)-3-oxo-1,4-benzoxazine-7-carboxylate;methyl 3-oxo-4H-1,4-benzoxazine-7-carboxylate?
The InChIKey is IPNKOLWCFLVQEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H37F4N3O6S.C27H33ClF3N3O6S.C15H21ClF3N3O3S.C12H13NO5.C12H15NO4.C11H13NO4.C10H9NO4/c1-30(2,3)47(44)39-31(4)19-46-29-23(31)18-27(38-28(29)20-5-8-22(34)9-6-20)32(43,33(35,36)37)12-11-25(42)21-7-10-24-26(17-21)45-16-14-40(24)13-15-41;1-24(2,3)41(38)33-25(4)15-40-22-17(25)14-21(32-23(22)28)26(37,27(29,30)31)8-7-19(36)16-5-6-18-20(13-16)39-12-10-34(18)9-11-35;1-12(2,3)26(24)22-13(4)7-25-10-8(13)5-9(21-11(10)16)14(23,6-20)15(17,18)19;1-17-12(16)8-2-3-9-10(6-8)18-7-11(15)13(9)4-5-14;1-16-12(15)9-2-3-10-11(8-9)17-7-5-13(10)4-6-14;13-5-3-12-4-6-16-10-7-8(11(14)15)1-2-9(10)12;1-14-10(13)6-2-3-7-8(4-6)15-5-9(12)11-7/h5-10,17-18,39,41,43H,11-16,19H2,1-4H3;5-6,13-14,33,35,37H,7-12,15H2,1-4H3;5,22-23H,6-7,20H2,1-4H3;2-3,6,14H,4-5,7H2,1H3;2-3,8,14H,4-7H2,1H3;1-2,7,13H,3-6H2,(H,14,15);2-4H,5H2,1H3,(H,11,12).
What are the key properties of N-[5-(3-amino-1,1,1-trifluoro-2-hydroxypropan-2-yl)-7-chloro-3-methyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[7-chloro-3-methyl-5-[1,1,1-trifluoro-2-hydroxy-5-[4-(2-hydroxyethyl)-2,3-dihydro-1,4-benzoxazin-7-yl]-5-oxopentan-2-yl]-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[7-(4-fluorophenyl)-3-methyl-5-[1,1,1-trifluoro-2-hydroxy-5-[4-(2-hydroxyethyl)-2,3-dihydro-1,4-benzoxazin-7-yl]-5-oxopentan-2-yl]-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;4-(2-hydroxyethyl)-2,3-dihydro-1,4-benzoxazine-7-carboxylic acid;methyl 4-(2-hydroxyethyl)-2,3-dihydro-1,4-benzoxazine-7-carboxylate;methyl 4-(2-hydroxyethyl)-3-oxo-1,4-benzoxazine-7-carboxylate;methyl 3-oxo-4H-1,4-benzoxazine-7-carboxylate?
N-[5-(3-amino-1,1,1-trifluoro-2-hydroxypropan-2-yl)-7-chloro-3-methyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[7-chloro-3-methyl-5-[1,1,1-trifluoro-2-hydroxy-5-[4-(2-hydroxyethyl)-2,3-dihydro-1,4-benzoxazin-7-yl]-5-oxopentan-2-yl]-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[7-(4-fluorophenyl)-3-methyl-5-[1,1,1-trifluoro-2-hydroxy-5-[4-(2-hydroxyethyl)-2,3-dihydro-1,4-benzoxazin-7-yl]-5-oxopentan-2-yl]-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;4-(2-hydroxyethyl)-2,3-dihydro-1,4-benzoxazine-7-carboxylic acid;methyl 4-(2-hydroxyethyl)-2,3-dihydro-1,4-benzoxazine-7-carboxylate;methyl 4-(2-hydroxyethyl)-3-oxo-1,4-benzoxazine-7-carboxylate;methyl 3-oxo-4H-1,4-benzoxazine-7-carboxylate has a molecular weight of 2634.59 g/mol, XLogP of 13.49, 33 rotatable bonds, 14 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3-amino-1,1,1-trifluoro-2-hydroxypropan-2-yl)-7-chloro-3-methyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[7-chloro-3-methyl-5-[1,1,1-trifluoro-2-hydroxy-5-[4-(2-hydroxyethyl)-2,3-dihydro-1,4-benzoxazin-7-yl]-5-oxopentan-2-yl]-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[7-(4-fluorophenyl)-3-methyl-5-[1,1,1-trifluoro-2-hydroxy-5-[4-(2-hydroxyethyl)-2,3-dihydro-1,4-benzoxazin-7-yl]-5-oxopentan-2-yl]-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;4-(2-hydroxyethyl)-2,3-dihydro-1,4-benzoxazine-7-carboxylic acid;methyl 4-(2-hydroxyethyl)-2,3-dihydro-1,4-benzoxazine-7-carboxylate;methyl 4-(2-hydroxyethyl)-3-oxo-1,4-benzoxazine-7-carboxylate;methyl 3-oxo-4H-1,4-benzoxazine-7-carboxylate is sourced from PubChem (CID 158768211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).