About 1-(2-amino-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl)-2-[5-ethyl-3-(3-methylphenyl)pyrazol-1-yl]ethanone;2-[5-ethyl-3-(3-methylphenyl)pyrazol-1-yl]-1-[4-(5-methoxypyrimidin-2-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;2-[5-ethyl-3-(3-methylphenyl)pyrazol-1-yl]-1-[4-(5-methoxypyrimidin-2-yl)piperidin-1-yl]ethanone;2-[5-ethyl-3-(3-methylphenyl)pyrazol-1-yl]-1-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)ethanone
1-(2-amino-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl)-2-[5-ethyl-3-(3-methylphenyl)pyrazol-1-yl]ethanone;2-[5-ethyl-3-(3-methylphenyl)pyrazol-1-yl]-1-[4-(5-methoxypyrimidin-2-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;2-[5-ethyl-3-(3-methylphenyl)pyrazol-1-yl]-1-[4-(5-methoxypyrimidin-2-yl)piperidin-1-yl]ethanone;2-[5-ethyl-3-(3-methylphenyl)pyrazol-1-yl]-1-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)ethanone (PubChem CID 161323914) has the molecular formula C89H103N19O6S2
and a molecular weight of 1599.06 g/mol. Its IUPAC name is 1-(2-amino-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl)-2-[5-ethyl-3-(3-methylphenyl)pyrazol-1-yl]ethanone;2-[5-ethyl-3-(3-methylphenyl)pyrazol-1-yl]-1-[4-(5-methoxypyrimidin-2-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;2-[5-ethyl-3-(3-methylphenyl)pyrazol-1-yl]-1-[4-(5-methoxypyrimidin-2-yl)piperidin-1-yl]ethanone;2-[5-ethyl-3-(3-methylphenyl)pyrazol-1-yl]-1-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)ethanone.
Frequently Asked Questions
What is the IUPAC name of 1-(2-amino-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl)-2-[5-ethyl-3-(3-methylphenyl)pyrazol-1-yl]ethanone;2-[5-ethyl-3-(3-methylphenyl)pyrazol-1-yl]-1-[4-(5-methoxypyrimidin-2-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;2-[5-ethyl-3-(3-methylphenyl)pyrazol-1-yl]-1-[4-(5-methoxypyrimidin-2-yl)piperidin-1-yl]ethanone;2-[5-ethyl-3-(3-methylphenyl)pyrazol-1-yl]-1-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)ethanone?
The IUPAC name of 1-(2-amino-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl)-2-[5-ethyl-3-(3-methylphenyl)pyrazol-1-yl]ethanone;2-[5-ethyl-3-(3-methylphenyl)pyrazol-1-yl]-1-[4-(5-methoxypyrimidin-2-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;2-[5-ethyl-3-(3-methylphenyl)pyrazol-1-yl]-1-[4-(5-methoxypyrimidin-2-yl)piperidin-1-yl]ethanone;2-[5-ethyl-3-(3-methylphenyl)pyrazol-1-yl]-1-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)ethanone (CID 161323914) is 1-(2-amino-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl)-2-[5-ethyl-3-(3-methylphenyl)pyrazol-1-yl]ethanone;2-[5-ethyl-3-(3-methylphenyl)pyrazol-1-yl]-1-[4-(5-methoxypyrimidin-2-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;2-[5-ethyl-3-(3-methylphenyl)pyrazol-1-yl]-1-[4-(5-methoxypyrimidin-2-yl)piperidin-1-yl]ethanone;2-[5-ethyl-3-(3-methylphenyl)pyrazol-1-yl]-1-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)ethanone.
What is the SMILES notation for 1-(2-amino-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl)-2-[5-ethyl-3-(3-methylphenyl)pyrazol-1-yl]ethanone;2-[5-ethyl-3-(3-methylphenyl)pyrazol-1-yl]-1-[4-(5-methoxypyrimidin-2-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;2-[5-ethyl-3-(3-methylphenyl)pyrazol-1-yl]-1-[4-(5-methoxypyrimidin-2-yl)piperidin-1-yl]ethanone;2-[5-ethyl-3-(3-methylphenyl)pyrazol-1-yl]-1-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)ethanone?
The canonical SMILES for 1-(2-amino-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl)-2-[5-ethyl-3-(3-methylphenyl)pyrazol-1-yl]ethanone;2-[5-ethyl-3-(3-methylphenyl)pyrazol-1-yl]-1-[4-(5-methoxypyrimidin-2-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;2-[5-ethyl-3-(3-methylphenyl)pyrazol-1-yl]-1-[4-(5-methoxypyrimidin-2-yl)piperidin-1-yl]ethanone;2-[5-ethyl-3-(3-methylphenyl)pyrazol-1-yl]-1-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)ethanone is CCc1cc(-c2cccc(C)c2)nn1CC(=O)N1CC=C(c2ncc(OC)cn2)CC1.CCc1cc(-c2cccc(C)c2)nn1CC(=O)N1CCC(c2ncc(OC)cn2)CC1.CCc1cc(-c2cccc(C)c2)nn1CC(=O)N1CCc2nc(N)sc2CC1.CCc1cc(-c2cccc(C)c2)nn1CC(=O)N1Cc2nc(C)sc2C1.
What is the InChIKey of 1-(2-amino-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl)-2-[5-ethyl-3-(3-methylphenyl)pyrazol-1-yl]ethanone;2-[5-ethyl-3-(3-methylphenyl)pyrazol-1-yl]-1-[4-(5-methoxypyrimidin-2-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;2-[5-ethyl-3-(3-methylphenyl)pyrazol-1-yl]-1-[4-(5-methoxypyrimidin-2-yl)piperidin-1-yl]ethanone;2-[5-ethyl-3-(3-methylphenyl)pyrazol-1-yl]-1-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)ethanone?
The InChIKey is VKMZBQQMJIUBMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O2.C24H27N5O2.C21H25N5OS.C20H22N4OS/c2*1-4-20-13-22(19-7-5-6-17(2)12-19)27-29(20)16-23(30)28-10-8-18(9-11-28)24-25-14-21(31-3)15-26-24;1-3-16-12-18(15-6-4-5-14(2)11-15)24-26(16)13-20(27)25-9-7-17-19(8-10-25)28-21(22)23-17;1-4-16-9-17(15-7-5-6-13(2)8-15)22-24(16)12-20(25)23-10-18-19(11-23)26-14(3)21-18/h5-7,12-15,18H,4,8-11,16H2,1-3H3;5-8,12-15H,4,9-11,16H2,1-3H3;4-6,11-12H,3,7-10,13H2,1-2H3,(H2,22,23);5-9H,4,10-12H2,1-3H3.
What are the key properties of 1-(2-amino-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl)-2-[5-ethyl-3-(3-methylphenyl)pyrazol-1-yl]ethanone;2-[5-ethyl-3-(3-methylphenyl)pyrazol-1-yl]-1-[4-(5-methoxypyrimidin-2-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;2-[5-ethyl-3-(3-methylphenyl)pyrazol-1-yl]-1-[4-(5-methoxypyrimidin-2-yl)piperidin-1-yl]ethanone;2-[5-ethyl-3-(3-methylphenyl)pyrazol-1-yl]-1-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)ethanone?
1-(2-amino-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl)-2-[5-ethyl-3-(3-methylphenyl)pyrazol-1-yl]ethanone;2-[5-ethyl-3-(3-methylphenyl)pyrazol-1-yl]-1-[4-(5-methoxypyrimidin-2-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;2-[5-ethyl-3-(3-methylphenyl)pyrazol-1-yl]-1-[4-(5-methoxypyrimidin-2-yl)piperidin-1-yl]ethanone;2-[5-ethyl-3-(3-methylphenyl)pyrazol-1-yl]-1-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)ethanone has a molecular weight of 1599.06 g/mol, XLogP of 13.98, 20 rotatable bonds, 1 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl)-2-[5-ethyl-3-(3-methylphenyl)pyrazol-1-yl]ethanone;2-[5-ethyl-3-(3-methylphenyl)pyrazol-1-yl]-1-[4-(5-methoxypyrimidin-2-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;2-[5-ethyl-3-(3-methylphenyl)pyrazol-1-yl]-1-[4-(5-methoxypyrimidin-2-yl)piperidin-1-yl]ethanone;2-[5-ethyl-3-(3-methylphenyl)pyrazol-1-yl]-1-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)ethanone is sourced from PubChem (CID 161323914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).