About 6-[2-(2-deuterio-2-methylpropoxy)pyrimidin-5-yl]-2-[(3-fluorophenyl)methyl]pyridazin-3-one;6-[2-(2,2-difluoropropoxy)pyrimidin-5-yl]-2-[(5-ethylthiophen-2-yl)methyl]pyridazin-3-one;2-[(5-ethyl-3-pyridinyl)methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one;2-[(3-fluorophenyl)methyl]-6-(2-phenylmethoxypyrimidin-5-yl)pyridazin-3-one;2-[(6-methoxy-3-pyridinyl)methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one;6-[2-(2-methylpropoxy)pyrimidin-5-yl]-2-[(5-methylthiophen-2-yl)methyl]pyridazin-3-one
6-[2-(2-deuterio-2-methylpropoxy)pyrimidin-5-yl]-2-[(3-fluorophenyl)methyl]pyridazin-3-one;6-[2-(2,2-difluoropropoxy)pyrimidin-5-yl]-2-[(5-ethylthiophen-2-yl)methyl]pyridazin-3-one;2-[(5-ethyl-3-pyridinyl)methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one;2-[(3-fluorophenyl)methyl]-6-(2-phenylmethoxypyrimidin-5-yl)pyridazin-3-one;2-[(6-methoxy-3-pyridinyl)methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one;6-[2-(2-methylpropoxy)pyrimidin-5-yl]-2-[(5-methylthiophen-2-yl)methyl]pyridazin-3-one (PubChem CID 158437621) has the molecular formula C112H104F10N26O13S2
and a molecular weight of 2277.35 g/mol. Its IUPAC name is 6-[2-(2-deuterio-2-methylpropoxy)pyrimidin-5-yl]-2-[(3-fluorophenyl)methyl]pyridazin-3-one;6-[2-(2,2-difluoropropoxy)pyrimidin-5-yl]-2-[(5-ethylthiophen-2-yl)methyl]pyridazin-3-one;2-[(5-ethyl-3-pyridinyl)methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one;2-[(3-fluorophenyl)methyl]-6-(2-phenylmethoxypyrimidin-5-yl)pyridazin-3-one;2-[(6-methoxy-3-pyridinyl)methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one;6-[2-(2-methylpropoxy)pyrimidin-5-yl]-2-[(5-methylthiophen-2-yl)methyl]pyridazin-3-one.
Frequently Asked Questions
What is the IUPAC name of 6-[2-(2-deuterio-2-methylpropoxy)pyrimidin-5-yl]-2-[(3-fluorophenyl)methyl]pyridazin-3-one;6-[2-(2,2-difluoropropoxy)pyrimidin-5-yl]-2-[(5-ethylthiophen-2-yl)methyl]pyridazin-3-one;2-[(5-ethyl-3-pyridinyl)methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one;2-[(3-fluorophenyl)methyl]-6-(2-phenylmethoxypyrimidin-5-yl)pyridazin-3-one;2-[(6-methoxy-3-pyridinyl)methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one;6-[2-(2-methylpropoxy)pyrimidin-5-yl]-2-[(5-methylthiophen-2-yl)methyl]pyridazin-3-one?
The IUPAC name of 6-[2-(2-deuterio-2-methylpropoxy)pyrimidin-5-yl]-2-[(3-fluorophenyl)methyl]pyridazin-3-one;6-[2-(2,2-difluoropropoxy)pyrimidin-5-yl]-2-[(5-ethylthiophen-2-yl)methyl]pyridazin-3-one;2-[(5-ethyl-3-pyridinyl)methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one;2-[(3-fluorophenyl)methyl]-6-(2-phenylmethoxypyrimidin-5-yl)pyridazin-3-one;2-[(6-methoxy-3-pyridinyl)methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one;6-[2-(2-methylpropoxy)pyrimidin-5-yl]-2-[(5-methylthiophen-2-yl)methyl]pyridazin-3-one (CID 158437621) is 6-[2-(2-deuterio-2-methylpropoxy)pyrimidin-5-yl]-2-[(3-fluorophenyl)methyl]pyridazin-3-one;6-[2-(2,2-difluoropropoxy)pyrimidin-5-yl]-2-[(5-ethylthiophen-2-yl)methyl]pyridazin-3-one;2-[(5-ethyl-3-pyridinyl)methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one;2-[(3-fluorophenyl)methyl]-6-(2-phenylmethoxypyrimidin-5-yl)pyridazin-3-one;2-[(6-methoxy-3-pyridinyl)methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one;6-[2-(2-methylpropoxy)pyrimidin-5-yl]-2-[(5-methylthiophen-2-yl)methyl]pyridazin-3-one.
What is the SMILES notation for 6-[2-(2-deuterio-2-methylpropoxy)pyrimidin-5-yl]-2-[(3-fluorophenyl)methyl]pyridazin-3-one;6-[2-(2,2-difluoropropoxy)pyrimidin-5-yl]-2-[(5-ethylthiophen-2-yl)methyl]pyridazin-3-one;2-[(5-ethyl-3-pyridinyl)methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one;2-[(3-fluorophenyl)methyl]-6-(2-phenylmethoxypyrimidin-5-yl)pyridazin-3-one;2-[(6-methoxy-3-pyridinyl)methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one;6-[2-(2-methylpropoxy)pyrimidin-5-yl]-2-[(5-methylthiophen-2-yl)methyl]pyridazin-3-one?
The canonical SMILES for 6-[2-(2-deuterio-2-methylpropoxy)pyrimidin-5-yl]-2-[(3-fluorophenyl)methyl]pyridazin-3-one;6-[2-(2,2-difluoropropoxy)pyrimidin-5-yl]-2-[(5-ethylthiophen-2-yl)methyl]pyridazin-3-one;2-[(5-ethyl-3-pyridinyl)methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one;2-[(3-fluorophenyl)methyl]-6-(2-phenylmethoxypyrimidin-5-yl)pyridazin-3-one;2-[(6-methoxy-3-pyridinyl)methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one;6-[2-(2-methylpropoxy)pyrimidin-5-yl]-2-[(5-methylthiophen-2-yl)methyl]pyridazin-3-one is CCc1ccc(Cn2nc(-c3cnc(OCC(C)(F)F)nc3)ccc2=O)s1.CCc1cncc(Cn2nc(-c3cnc(OCC(F)(F)F)nc3)ccc2=O)c1.COc1ccc(Cn2nc(-c3cnc(OCC(F)(F)F)nc3)ccc2=O)cn1.Cc1ccc(Cn2nc(-c3cnc(OCC(C)C)nc3)ccc2=O)s1.O=c1ccc(-c2cnc(OCc3ccccc3)nc2)nn1Cc1cccc(F)c1.[2H]C(C)(C)COc1ncc(-c2ccc(=O)n(Cc3cccc(F)c3)n2)cn1.
What is the InChIKey of 6-[2-(2-deuterio-2-methylpropoxy)pyrimidin-5-yl]-2-[(3-fluorophenyl)methyl]pyridazin-3-one;6-[2-(2,2-difluoropropoxy)pyrimidin-5-yl]-2-[(5-ethylthiophen-2-yl)methyl]pyridazin-3-one;2-[(5-ethyl-3-pyridinyl)methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one;2-[(3-fluorophenyl)methyl]-6-(2-phenylmethoxypyrimidin-5-yl)pyridazin-3-one;2-[(6-methoxy-3-pyridinyl)methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one;6-[2-(2-methylpropoxy)pyrimidin-5-yl]-2-[(5-methylthiophen-2-yl)methyl]pyridazin-3-one?
The InChIKey is HCKSZXNAAUPVHI-BAVRCFQOSA-N. The full InChI is InChI=1S/C22H17FN4O2.C19H19FN4O2.C18H16F3N5O2.C18H18F2N4O2S.C18H20N4O2S.C17H14F3N5O3/c23-19-8-4-7-17(11-19)14-27-21(28)10-9-20(26-27)18-12-24-22(25-13-18)29-15-16-5-2-1-3-6-16;1-13(2)12-26-19-21-9-15(10-22-19)17-6-7-18(25)24(23-17)11-14-4-3-5-16(20)8-14;1-2-12-5-13(7-22-6-12)10-26-16(27)4-3-15(25-26)14-8-23-17(24-9-14)28-11-18(19,20)21;1-3-13-4-5-14(27-13)10-24-16(25)7-6-15(23-24)12-8-21-17(22-9-12)26-11-18(2,19)20;1-12(2)11-24-18-19-8-14(9-20-18)16-6-7-17(23)22(21-16)10-15-5-4-13(3)25-15;1-27-14-4-2-11(6-21-14)9-25-15(26)5-3-13(24-25)12-7-22-16(23-8-12)28-10-17(18,19)20/h1-13H,14-15H2;3-10,13H,11-12H2,1-2H3;3-9H,2,10-11H2,1H3;4-9H,3,10-11H2,1-2H3;4-9,12H,10-11H2,1-3H3;2-8H,9-10H2,1H3/i;13D;;;;.
What are the key properties of 6-[2-(2-deuterio-2-methylpropoxy)pyrimidin-5-yl]-2-[(3-fluorophenyl)methyl]pyridazin-3-one;6-[2-(2,2-difluoropropoxy)pyrimidin-5-yl]-2-[(5-ethylthiophen-2-yl)methyl]pyridazin-3-one;2-[(5-ethyl-3-pyridinyl)methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one;2-[(3-fluorophenyl)methyl]-6-(2-phenylmethoxypyrimidin-5-yl)pyridazin-3-one;2-[(6-methoxy-3-pyridinyl)methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one;6-[2-(2-methylpropoxy)pyrimidin-5-yl]-2-[(5-methylthiophen-2-yl)methyl]pyridazin-3-one?
6-[2-(2-deuterio-2-methylpropoxy)pyrimidin-5-yl]-2-[(3-fluorophenyl)methyl]pyridazin-3-one;6-[2-(2,2-difluoropropoxy)pyrimidin-5-yl]-2-[(5-ethylthiophen-2-yl)methyl]pyridazin-3-one;2-[(5-ethyl-3-pyridinyl)methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one;2-[(3-fluorophenyl)methyl]-6-(2-phenylmethoxypyrimidin-5-yl)pyridazin-3-one;2-[(6-methoxy-3-pyridinyl)methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one;6-[2-(2-methylpropoxy)pyrimidin-5-yl]-2-[(5-methylthiophen-2-yl)methyl]pyridazin-3-one has a molecular weight of 2277.35 g/mol, XLogP of 17.69, 37 rotatable bonds, 0 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(2-deuterio-2-methylpropoxy)pyrimidin-5-yl]-2-[(3-fluorophenyl)methyl]pyridazin-3-one;6-[2-(2,2-difluoropropoxy)pyrimidin-5-yl]-2-[(5-ethylthiophen-2-yl)methyl]pyridazin-3-one;2-[(5-ethyl-3-pyridinyl)methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one;2-[(3-fluorophenyl)methyl]-6-(2-phenylmethoxypyrimidin-5-yl)pyridazin-3-one;2-[(6-methoxy-3-pyridinyl)methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one;6-[2-(2-methylpropoxy)pyrimidin-5-yl]-2-[(5-methylthiophen-2-yl)methyl]pyridazin-3-one is sourced from PubChem (CID 158437621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).