About 1-[4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-[2-[(2R,6S)-2,6-dimethyloxan-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]ethanone;1-[4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-[2-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]ethanone;1-[4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-[2-(2-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]ethanone;1-[4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone;1-[4-(4-ethyl-1,3-thiazol-2-yl)-1-methylpyrazol-5-yl]-2-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone
1-[4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-[2-[(2R,6S)-2,6-dimethyloxan-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]ethanone;1-[4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-[2-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]ethanone;1-[4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-[2-(2-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]ethanone;1-[4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone;1-[4-(4-ethyl-1,3-thiazol-2-yl)-1-methylpyrazol-5-yl]-2-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone (PubChem CID 158034959) has the molecular formula C113H93F9N30O7S5
and a molecular weight of 2314.51 g/mol. Its IUPAC name is 1-[4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-[2-[(2R,6S)-2,6-dimethyloxan-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]ethanone;1-[4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-[2-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]ethanone;1-[4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-[2-(2-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]ethanone;1-[4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone;1-[4-(4-ethyl-1,3-thiazol-2-yl)-1-methylpyrazol-5-yl]-2-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone.
Frequently Asked Questions
What is the IUPAC name of 1-[4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-[2-[(2R,6S)-2,6-dimethyloxan-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]ethanone;1-[4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-[2-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]ethanone;1-[4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-[2-(2-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]ethanone;1-[4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone;1-[4-(4-ethyl-1,3-thiazol-2-yl)-1-methylpyrazol-5-yl]-2-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone?
The IUPAC name of 1-[4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-[2-[(2R,6S)-2,6-dimethyloxan-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]ethanone;1-[4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-[2-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]ethanone;1-[4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-[2-(2-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]ethanone;1-[4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone;1-[4-(4-ethyl-1,3-thiazol-2-yl)-1-methylpyrazol-5-yl]-2-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone (CID 158034959) is 1-[4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-[2-[(2R,6S)-2,6-dimethyloxan-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]ethanone;1-[4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-[2-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]ethanone;1-[4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-[2-(2-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]ethanone;1-[4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone;1-[4-(4-ethyl-1,3-thiazol-2-yl)-1-methylpyrazol-5-yl]-2-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone.
What is the SMILES notation for 1-[4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-[2-[(2R,6S)-2,6-dimethyloxan-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]ethanone;1-[4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-[2-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]ethanone;1-[4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-[2-(2-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]ethanone;1-[4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone;1-[4-(4-ethyl-1,3-thiazol-2-yl)-1-methylpyrazol-5-yl]-2-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone?
The canonical SMILES for 1-[4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-[2-[(2R,6S)-2,6-dimethyloxan-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]ethanone;1-[4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-[2-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]ethanone;1-[4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-[2-(2-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]ethanone;1-[4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone;1-[4-(4-ethyl-1,3-thiazol-2-yl)-1-methylpyrazol-5-yl]-2-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone is CCc1csc(-c2cnn(C)c2C(=O)Cc2ccn3nc(-c4ccccc4)nc3c2)n1.COc1ccccc1-c1nc2cc(CC(=O)c3c(-c4nc(C(F)F)cs4)cnn3C)ccn2n1.C[C@@H]1CC(c2nc3cc(CC(=O)c4c(-c5nc(C(F)F)cs5)cnn4C)ccn3n2)C[C@H](C)O1.Cn1ncc(-c2nc(C(F)F)cs2)c1C(=O)Cc1ccn2nc(-c3cccc(F)c3)nc2c1.Cn1ncc(-c2nc(C(F)F)cs2)c1C(=O)Cc1ccn2nc(-c3ccccc3)nc2c1.
What is the InChIKey of 1-[4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-[2-[(2R,6S)-2,6-dimethyloxan-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]ethanone;1-[4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-[2-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]ethanone;1-[4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-[2-(2-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]ethanone;1-[4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone;1-[4-(4-ethyl-1,3-thiazol-2-yl)-1-methylpyrazol-5-yl]-2-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone?
The InChIKey is FHQDFMLXJIYCGQ-SYRMQAJXSA-N. The full InChI is InChI=1S/C23H24F2N6O2S.C23H18F2N6O2S.C23H20N6OS.C22H15F3N6OS.C22H16F2N6OS/c1-12-6-15(7-13(2)33-12)22-28-19-9-14(4-5-31(19)29-22)8-18(32)20-16(10-26-30(20)3)23-27-17(11-34-23)21(24)25;1-30-20(15(11-26-30)23-27-16(12-34-23)21(24)25)17(32)9-13-7-8-31-19(10-13)28-22(29-31)14-5-3-4-6-18(14)33-2;1-3-17-14-31-23(25-17)18-13-24-28(2)21(18)19(30)11-15-9-10-29-20(12-15)26-22(27-29)16-7-5-4-6-8-16;1-30-19(15(10-26-30)22-27-16(11-33-22)20(24)25)17(32)7-12-5-6-31-18(8-12)28-21(29-31)13-3-2-4-14(23)9-13;1-29-19(15(11-25-29)22-26-16(12-32-22)20(23)24)17(31)9-13-7-8-30-18(10-13)27-21(28-30)14-5-3-2-4-6-14/h4-5,9-13,15,21H,6-8H2,1-3H3;3-8,10-12,21H,9H2,1-2H3;4-10,12-14H,3,11H2,1-2H3;2-6,8-11,20H,7H2,1H3;2-8,10-12,20H,9H2,1H3/t12-,13+,15?;;;;.
What are the key properties of 1-[4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-[2-[(2R,6S)-2,6-dimethyloxan-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]ethanone;1-[4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-[2-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]ethanone;1-[4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-[2-(2-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]ethanone;1-[4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone;1-[4-(4-ethyl-1,3-thiazol-2-yl)-1-methylpyrazol-5-yl]-2-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone?
1-[4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-[2-[(2R,6S)-2,6-dimethyloxan-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]ethanone;1-[4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-[2-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]ethanone;1-[4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-[2-(2-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]ethanone;1-[4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone;1-[4-(4-ethyl-1,3-thiazol-2-yl)-1-methylpyrazol-5-yl]-2-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone has a molecular weight of 2314.51 g/mol, XLogP of 22.86, 31 rotatable bonds, 0 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-[2-[(2R,6S)-2,6-dimethyloxan-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]ethanone;1-[4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-[2-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]ethanone;1-[4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-[2-(2-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]ethanone;1-[4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone;1-[4-(4-ethyl-1,3-thiazol-2-yl)-1-methylpyrazol-5-yl]-2-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone is sourced from PubChem (CID 158034959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).