About 6-[2-(2,2-difluoropropoxy)pyrimidin-5-yl]-2-[(3-fluorophenyl)methyl]pyridazin-3-one;2-[(2-ethyl-1,3-thiazol-5-yl)methyl]-6-(2-propoxypyrimidin-5-yl)pyridazin-3-one;2-[(3-fluorophenyl)methyl]-6-(2-propan-2-yloxypyrimidin-5-yl)pyridazin-3-one;2-[(3-fluorophenyl)methyl]-6-[2-(3,3,3-trifluoropropoxy)pyrimidin-5-yl]pyridazin-3-one;2-[(6-fluoro-2-pyridinyl)methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one;2-[(3-methylsulfanylphenyl)methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one;2-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one;2-[(2-propyl-1,3-thiazol-5-yl)methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one
6-[2-(2,2-difluoropropoxy)pyrimidin-5-yl]-2-[(3-fluorophenyl)methyl]pyridazin-3-one;2-[(2-ethyl-1,3-thiazol-5-yl)methyl]-6-(2-propoxypyrimidin-5-yl)pyridazin-3-one;2-[(3-fluorophenyl)methyl]-6-(2-propan-2-yloxypyrimidin-5-yl)pyridazin-3-one;2-[(3-fluorophenyl)methyl]-6-[2-(3,3,3-trifluoropropoxy)pyrimidin-5-yl]pyridazin-3-one;2-[(6-fluoro-2-pyridinyl)methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one;2-[(3-methylsulfanylphenyl)methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one;2-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one;2-[(2-propyl-1,3-thiazol-5-yl)methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one (PubChem CID 159100216) has the molecular formula C139H123F21N36O16S4
and a molecular weight of 3080.97 g/mol. Its IUPAC name is 6-[2-(2,2-difluoropropoxy)pyrimidin-5-yl]-2-[(3-fluorophenyl)methyl]pyridazin-3-one;2-[(2-ethyl-1,3-thiazol-5-yl)methyl]-6-(2-propoxypyrimidin-5-yl)pyridazin-3-one;2-[(3-fluorophenyl)methyl]-6-(2-propan-2-yloxypyrimidin-5-yl)pyridazin-3-one;2-[(3-fluorophenyl)methyl]-6-[2-(3,3,3-trifluoropropoxy)pyrimidin-5-yl]pyridazin-3-one;2-[(6-fluoro-2-pyridinyl)methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one;2-[(3-methylsulfanylphenyl)methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one;2-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one;2-[(2-propyl-1,3-thiazol-5-yl)methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one.
Frequently Asked Questions
What is the IUPAC name of 6-[2-(2,2-difluoropropoxy)pyrimidin-5-yl]-2-[(3-fluorophenyl)methyl]pyridazin-3-one;2-[(2-ethyl-1,3-thiazol-5-yl)methyl]-6-(2-propoxypyrimidin-5-yl)pyridazin-3-one;2-[(3-fluorophenyl)methyl]-6-(2-propan-2-yloxypyrimidin-5-yl)pyridazin-3-one;2-[(3-fluorophenyl)methyl]-6-[2-(3,3,3-trifluoropropoxy)pyrimidin-5-yl]pyridazin-3-one;2-[(6-fluoro-2-pyridinyl)methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one;2-[(3-methylsulfanylphenyl)methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one;2-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one;2-[(2-propyl-1,3-thiazol-5-yl)methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one?
The IUPAC name of 6-[2-(2,2-difluoropropoxy)pyrimidin-5-yl]-2-[(3-fluorophenyl)methyl]pyridazin-3-one;2-[(2-ethyl-1,3-thiazol-5-yl)methyl]-6-(2-propoxypyrimidin-5-yl)pyridazin-3-one;2-[(3-fluorophenyl)methyl]-6-(2-propan-2-yloxypyrimidin-5-yl)pyridazin-3-one;2-[(3-fluorophenyl)methyl]-6-[2-(3,3,3-trifluoropropoxy)pyrimidin-5-yl]pyridazin-3-one;2-[(6-fluoro-2-pyridinyl)methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one;2-[(3-methylsulfanylphenyl)methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one;2-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one;2-[(2-propyl-1,3-thiazol-5-yl)methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one (CID 159100216) is 6-[2-(2,2-difluoropropoxy)pyrimidin-5-yl]-2-[(3-fluorophenyl)methyl]pyridazin-3-one;2-[(2-ethyl-1,3-thiazol-5-yl)methyl]-6-(2-propoxypyrimidin-5-yl)pyridazin-3-one;2-[(3-fluorophenyl)methyl]-6-(2-propan-2-yloxypyrimidin-5-yl)pyridazin-3-one;2-[(3-fluorophenyl)methyl]-6-[2-(3,3,3-trifluoropropoxy)pyrimidin-5-yl]pyridazin-3-one;2-[(6-fluoro-2-pyridinyl)methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one;2-[(3-methylsulfanylphenyl)methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one;2-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one;2-[(2-propyl-1,3-thiazol-5-yl)methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one.
What is the SMILES notation for 6-[2-(2,2-difluoropropoxy)pyrimidin-5-yl]-2-[(3-fluorophenyl)methyl]pyridazin-3-one;2-[(2-ethyl-1,3-thiazol-5-yl)methyl]-6-(2-propoxypyrimidin-5-yl)pyridazin-3-one;2-[(3-fluorophenyl)methyl]-6-(2-propan-2-yloxypyrimidin-5-yl)pyridazin-3-one;2-[(3-fluorophenyl)methyl]-6-[2-(3,3,3-trifluoropropoxy)pyrimidin-5-yl]pyridazin-3-one;2-[(6-fluoro-2-pyridinyl)methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one;2-[(3-methylsulfanylphenyl)methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one;2-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one;2-[(2-propyl-1,3-thiazol-5-yl)methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one?
The canonical SMILES for 6-[2-(2,2-difluoropropoxy)pyrimidin-5-yl]-2-[(3-fluorophenyl)methyl]pyridazin-3-one;2-[(2-ethyl-1,3-thiazol-5-yl)methyl]-6-(2-propoxypyrimidin-5-yl)pyridazin-3-one;2-[(3-fluorophenyl)methyl]-6-(2-propan-2-yloxypyrimidin-5-yl)pyridazin-3-one;2-[(3-fluorophenyl)methyl]-6-[2-(3,3,3-trifluoropropoxy)pyrimidin-5-yl]pyridazin-3-one;2-[(6-fluoro-2-pyridinyl)methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one;2-[(3-methylsulfanylphenyl)methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one;2-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one;2-[(2-propyl-1,3-thiazol-5-yl)methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one is CC(C)Oc1ncc(-c2ccc(=O)n(Cc3cccc(F)c3)n2)cn1.CC(C)c1ncc(Cn2nc(-c3cnc(OCC(F)(F)F)nc3)ccc2=O)s1.CC(F)(F)COc1ncc(-c2ccc(=O)n(Cc3cccc(F)c3)n2)cn1.CCCOc1ncc(-c2ccc(=O)n(Cc3cnc(CC)s3)n2)cn1.CCCc1ncc(Cn2nc(-c3cnc(OCC(F)(F)F)nc3)ccc2=O)s1.CSc1cccc(Cn2nc(-c3cnc(OCC(F)(F)F)nc3)ccc2=O)c1.O=c1ccc(-c2cnc(OCC(F)(F)F)nc2)nn1Cc1cccc(F)n1.O=c1ccc(-c2cnc(OCCC(F)(F)F)nc2)nn1Cc1cccc(F)c1.
What is the InChIKey of 6-[2-(2,2-difluoropropoxy)pyrimidin-5-yl]-2-[(3-fluorophenyl)methyl]pyridazin-3-one;2-[(2-ethyl-1,3-thiazol-5-yl)methyl]-6-(2-propoxypyrimidin-5-yl)pyridazin-3-one;2-[(3-fluorophenyl)methyl]-6-(2-propan-2-yloxypyrimidin-5-yl)pyridazin-3-one;2-[(3-fluorophenyl)methyl]-6-[2-(3,3,3-trifluoropropoxy)pyrimidin-5-yl]pyridazin-3-one;2-[(6-fluoro-2-pyridinyl)methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one;2-[(3-methylsulfanylphenyl)methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one;2-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one;2-[(2-propyl-1,3-thiazol-5-yl)methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one?
The InChIKey is KDELRNNSGQOANG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F4N4O2.C18H15F3N4O2S.C18H15F3N4O2.C18H17FN4O2.2C17H16F3N5O2S.C17H19N5O2S.C16H11F4N5O2/c19-14-3-1-2-12(8-14)11-26-16(27)5-4-15(25-26)13-9-23-17(24-10-13)28-7-6-18(20,21)22;1-28-14-4-2-3-12(7-14)10-25-16(26)6-5-15(24-25)13-8-22-17(23-9-13)27-11-18(19,20)21;1-18(20,21)11-27-17-22-8-13(9-23-17)15-5-6-16(26)25(24-15)10-12-3-2-4-14(19)7-12;1-12(2)25-18-20-9-14(10-21-18)16-6-7-17(24)23(22-16)11-13-4-3-5-15(19)8-13;1-10(2)15-21-7-12(28-15)8-25-14(26)4-3-13(24-25)11-5-22-16(23-6-11)27-9-17(18,19)20;1-2-3-14-21-8-12(28-14)9-25-15(26)5-4-13(24-25)11-6-22-16(23-7-11)27-10-17(18,19)20;1-3-7-24-17-19-8-12(9-20-17)14-5-6-16(23)22(21-14)11-13-10-18-15(4-2)25-13;17-13-3-1-2-11(23-13)8-25-14(26)5-4-12(24-25)10-6-21-15(22-7-10)27-9-16(18,19)20/h1-5,8-10H,6-7,11H2;2-9H,10-11H2,1H3;2-9H,10-11H2,1H3;3-10,12H,11H2,1-2H3;3-7,10H,8-9H2,1-2H3;4-8H,2-3,9-10H2,1H3;5-6,8-10H,3-4,7,11H2,1-2H3;1-7H,8-9H2.
What are the key properties of 6-[2-(2,2-difluoropropoxy)pyrimidin-5-yl]-2-[(3-fluorophenyl)methyl]pyridazin-3-one;2-[(2-ethyl-1,3-thiazol-5-yl)methyl]-6-(2-propoxypyrimidin-5-yl)pyridazin-3-one;2-[(3-fluorophenyl)methyl]-6-(2-propan-2-yloxypyrimidin-5-yl)pyridazin-3-one;2-[(3-fluorophenyl)methyl]-6-[2-(3,3,3-trifluoropropoxy)pyrimidin-5-yl]pyridazin-3-one;2-[(6-fluoro-2-pyridinyl)methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one;2-[(3-methylsulfanylphenyl)methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one;2-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one;2-[(2-propyl-1,3-thiazol-5-yl)methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one?
6-[2-(2,2-difluoropropoxy)pyrimidin-5-yl]-2-[(3-fluorophenyl)methyl]pyridazin-3-one;2-[(2-ethyl-1,3-thiazol-5-yl)methyl]-6-(2-propoxypyrimidin-5-yl)pyridazin-3-one;2-[(3-fluorophenyl)methyl]-6-(2-propan-2-yloxypyrimidin-5-yl)pyridazin-3-one;2-[(3-fluorophenyl)methyl]-6-[2-(3,3,3-trifluoropropoxy)pyrimidin-5-yl]pyridazin-3-one;2-[(6-fluoro-2-pyridinyl)methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one;2-[(3-methylsulfanylphenyl)methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one;2-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one;2-[(2-propyl-1,3-thiazol-5-yl)methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one has a molecular weight of 3080.97 g/mol, XLogP of 23.38, 48 rotatable bonds, 0 hydrogen bond donors, and 56 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(2,2-difluoropropoxy)pyrimidin-5-yl]-2-[(3-fluorophenyl)methyl]pyridazin-3-one;2-[(2-ethyl-1,3-thiazol-5-yl)methyl]-6-(2-propoxypyrimidin-5-yl)pyridazin-3-one;2-[(3-fluorophenyl)methyl]-6-(2-propan-2-yloxypyrimidin-5-yl)pyridazin-3-one;2-[(3-fluorophenyl)methyl]-6-[2-(3,3,3-trifluoropropoxy)pyrimidin-5-yl]pyridazin-3-one;2-[(6-fluoro-2-pyridinyl)methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one;2-[(3-methylsulfanylphenyl)methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one;2-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one;2-[(2-propyl-1,3-thiazol-5-yl)methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one is sourced from PubChem (CID 159100216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).