About N-[4-fluoro-4-[2-[2-(1,1,1-trifluoropropan-2-yloxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)acetamide;N-[4-fluoro-4-[2-[2-(1,1,1-trifluoropropan-2-yloxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-(2-methyl-1,3-oxazol-5-yl)acetamide;N-[4-fluoro-4-[2-[2-(1,1,1-trifluoropropan-2-yloxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-(5-methylpyrazin-2-yl)oxyacetamide;N-[4-fluoro-4-[2-[2-(1,1,1-trifluoropropan-2-yloxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
N-[4-fluoro-4-[2-[2-(1,1,1-trifluoropropan-2-yloxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)acetamide;N-[4-fluoro-4-[2-[2-(1,1,1-trifluoropropan-2-yloxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-(2-methyl-1,3-oxazol-5-yl)acetamide;N-[4-fluoro-4-[2-[2-(1,1,1-trifluoropropan-2-yloxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-(5-methylpyrazin-2-yl)oxyacetamide;N-[4-fluoro-4-[2-[2-(1,1,1-trifluoropropan-2-yloxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 161048063) has the molecular formula C103H135F16N19O11S
and a molecular weight of 2151.37 g/mol. Its IUPAC name is N-[4-fluoro-4-[2-[2-(1,1,1-trifluoropropan-2-yloxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)acetamide;N-[4-fluoro-4-[2-[2-(1,1,1-trifluoropropan-2-yloxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-(2-methyl-1,3-oxazol-5-yl)acetamide;N-[4-fluoro-4-[2-[2-(1,1,1-trifluoropropan-2-yloxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-(5-methylpyrazin-2-yl)oxyacetamide;N-[4-fluoro-4-[2-[2-(1,1,1-trifluoropropan-2-yloxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide.
Frequently Asked Questions
What is the IUPAC name of N-[4-fluoro-4-[2-[2-(1,1,1-trifluoropropan-2-yloxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)acetamide;N-[4-fluoro-4-[2-[2-(1,1,1-trifluoropropan-2-yloxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-(2-methyl-1,3-oxazol-5-yl)acetamide;N-[4-fluoro-4-[2-[2-(1,1,1-trifluoropropan-2-yloxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-(5-methylpyrazin-2-yl)oxyacetamide;N-[4-fluoro-4-[2-[2-(1,1,1-trifluoropropan-2-yloxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of N-[4-fluoro-4-[2-[2-(1,1,1-trifluoropropan-2-yloxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)acetamide;N-[4-fluoro-4-[2-[2-(1,1,1-trifluoropropan-2-yloxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-(2-methyl-1,3-oxazol-5-yl)acetamide;N-[4-fluoro-4-[2-[2-(1,1,1-trifluoropropan-2-yloxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-(5-methylpyrazin-2-yl)oxyacetamide;N-[4-fluoro-4-[2-[2-(1,1,1-trifluoropropan-2-yloxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide (CID 161048063) is N-[4-fluoro-4-[2-[2-(1,1,1-trifluoropropan-2-yloxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)acetamide;N-[4-fluoro-4-[2-[2-(1,1,1-trifluoropropan-2-yloxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-(2-methyl-1,3-oxazol-5-yl)acetamide;N-[4-fluoro-4-[2-[2-(1,1,1-trifluoropropan-2-yloxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-(5-methylpyrazin-2-yl)oxyacetamide;N-[4-fluoro-4-[2-[2-(1,1,1-trifluoropropan-2-yloxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for N-[4-fluoro-4-[2-[2-(1,1,1-trifluoropropan-2-yloxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)acetamide;N-[4-fluoro-4-[2-[2-(1,1,1-trifluoropropan-2-yloxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-(2-methyl-1,3-oxazol-5-yl)acetamide;N-[4-fluoro-4-[2-[2-(1,1,1-trifluoropropan-2-yloxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-(5-methylpyrazin-2-yl)oxyacetamide;N-[4-fluoro-4-[2-[2-(1,1,1-trifluoropropan-2-yloxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for N-[4-fluoro-4-[2-[2-(1,1,1-trifluoropropan-2-yloxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)acetamide;N-[4-fluoro-4-[2-[2-(1,1,1-trifluoropropan-2-yloxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-(2-methyl-1,3-oxazol-5-yl)acetamide;N-[4-fluoro-4-[2-[2-(1,1,1-trifluoropropan-2-yloxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-(5-methylpyrazin-2-yl)oxyacetamide;N-[4-fluoro-4-[2-[2-(1,1,1-trifluoropropan-2-yloxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide is Cc1cnc(OCC(=O)NC2CCC(F)(CCN3CCc4ccc(OC(C)C(F)(F)F)nc4CC3)CC2)cn1.Cc1nc(CC(=O)NC2CCC(F)(CCN3CCc4ccc(OC(C)C(F)(F)F)nc4CC3)CC2)no1.Cc1ncc(CC(=O)NC2CCC(F)(CCN3CCc4ccc(OC(C)C(F)(F)F)nc4CC3)CC2)o1.Cc1nnc(CC(=O)NC2CCC(F)(CCN3CCc4ccc(OC(C)C(F)(F)F)nc4CC3)CC2)s1.
What is the InChIKey of N-[4-fluoro-4-[2-[2-(1,1,1-trifluoropropan-2-yloxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)acetamide;N-[4-fluoro-4-[2-[2-(1,1,1-trifluoropropan-2-yloxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-(2-methyl-1,3-oxazol-5-yl)acetamide;N-[4-fluoro-4-[2-[2-(1,1,1-trifluoropropan-2-yloxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-(5-methylpyrazin-2-yl)oxyacetamide;N-[4-fluoro-4-[2-[2-(1,1,1-trifluoropropan-2-yloxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is UBTMEFQBFKWJLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35F4N5O3.C26H34F4N4O3.C25H33F4N5O3.C25H33F4N5O2S/c1-18-15-33-25(16-32-18)38-17-23(37)34-21-5-9-26(28,10-6-21)11-14-36-12-7-20-3-4-24(35-22(20)8-13-36)39-19(2)27(29,30)31;1-17(26(28,29)30)36-24-4-3-19-7-12-34(13-8-22(19)33-24)14-11-25(27)9-5-20(6-10-25)32-23(35)15-21-16-31-18(2)37-21;1-16(25(27,28)29)36-23-4-3-18-7-12-34(13-8-20(18)32-23)14-11-24(26)9-5-19(6-10-24)31-22(35)15-21-30-17(2)37-33-21;1-16(25(27,28)29)36-22-4-3-18-7-12-34(13-8-20(18)31-22)14-11-24(26)9-5-19(6-10-24)30-21(35)15-23-33-32-17(2)37-23/h3-4,15-16,19,21H,5-14,17H2,1-2H3,(H,34,37);3-4,16-17,20H,5-15H2,1-2H3,(H,32,35);3-4,16,19H,5-15H2,1-2H3,(H,31,35);3-4,16,19H,5-15H2,1-2H3,(H,30,35).
What are the key properties of N-[4-fluoro-4-[2-[2-(1,1,1-trifluoropropan-2-yloxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)acetamide;N-[4-fluoro-4-[2-[2-(1,1,1-trifluoropropan-2-yloxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-(2-methyl-1,3-oxazol-5-yl)acetamide;N-[4-fluoro-4-[2-[2-(1,1,1-trifluoropropan-2-yloxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-(5-methylpyrazin-2-yl)oxyacetamide;N-[4-fluoro-4-[2-[2-(1,1,1-trifluoropropan-2-yloxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide?
N-[4-fluoro-4-[2-[2-(1,1,1-trifluoropropan-2-yloxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)acetamide;N-[4-fluoro-4-[2-[2-(1,1,1-trifluoropropan-2-yloxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-(2-methyl-1,3-oxazol-5-yl)acetamide;N-[4-fluoro-4-[2-[2-(1,1,1-trifluoropropan-2-yloxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-(5-methylpyrazin-2-yl)oxyacetamide;N-[4-fluoro-4-[2-[2-(1,1,1-trifluoropropan-2-yloxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 2151.37 g/mol, XLogP of 16.93, 33 rotatable bonds, 4 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-fluoro-4-[2-[2-(1,1,1-trifluoropropan-2-yloxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)acetamide;N-[4-fluoro-4-[2-[2-(1,1,1-trifluoropropan-2-yloxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-(2-methyl-1,3-oxazol-5-yl)acetamide;N-[4-fluoro-4-[2-[2-(1,1,1-trifluoropropan-2-yloxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-(5-methylpyrazin-2-yl)oxyacetamide;N-[4-fluoro-4-[2-[2-(1,1,1-trifluoropropan-2-yloxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 161048063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).