6-[2-(2,2-difluoroethoxy)pyrimidin-5-yl]-2-[(3-fluorophenyl)methyl]pyridazin-3-one;2-[[2-(difluoromethyl)-1,3-thiazol-5-yl]methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one;6-[2-(2,2-dimethylpropoxy)pyrimidin-5-yl]-2-[(3-fluorophenyl)methyl]pyridazin-3-one;2-[(3-fluorophenyl)methyl]-6-[2-(2-methylsulfanylethoxy)pyrimidin-5-yl]pyridazin-3-one;2-[(3-fluorophenyl)methyl]-6-[2-(methylsulfanylmethoxy)pyrimidin-5-yl]pyridazin-3-one;2-[(3-fluorophenyl)methyl]-6-[2-(oxetan-3-ylmethoxy)pyrimidin-5-yl]pyridazin-3-one;2-[(5-fluoro-3-pyridinyl)methyl]-6-[2-(2-methylpropoxy)pyrimidin-5-yl]pyridazin-3-one;2-[[2-(methylsulfanylmethyl)-1,3-thiazol-5-yl]methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one

C140H125F16N35O17S5 — CID 157419688

IUPAC6-[2-(2,2-difluoroethoxy)pyrimidin-5-yl]-2-[(3-fluorophenyl)methyl]pyridazin-3-one;2-[[2-(difluoromethyl)-1,3-thiazol-5-yl]methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one;6-[2-(2,2-dimethylpropoxy)pyrimidin-5-yl]-2-[(3-fluorophenyl)methyl]pyridazin-3-one;2-[(3-fluorophenyl)methyl]-6-[2-(2-methylsulfanylethoxy)pyrimidin-5-yl]pyridazin-3-one;2-[(3-fluorophenyl)methyl]-6-[2-(methylsulfanylmethoxy)pyrimidin-5-yl]pyridazin-3-one;2-[(3-fluorophenyl)methyl]-6-[2-(oxetan-3-ylmethoxy)pyrimidin-5-yl]pyridazin-3-one;2-[(5-fluoro-3-pyridinyl)methyl]-6-[2-(2-methylpropoxy)pyrimidin-5-yl]pyridazin-3-one;2-[[2-(methylsulfanylmethyl)-1,3-thiazol-5-yl]methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one
SMILESCC(C)(C)COc1ncc(-c2ccc(=O)n(Cc3cccc(F)c3)n2)cn1.CC(C)COc1ncc(-c2ccc(=O)n(Cc3cncc(F)c3)n2)cn1.CSCCOc1ncc(-c2ccc(=O)n(Cc3cccc(F)c3)n2)cn1.CSCOc1ncc(-c2ccc(=O)n(Cc3cccc(F)c3)n2)cn1.CSCc1ncc(Cn2nc(-c3cnc(OCC(F)(F)F)nc3)ccc2=O)s1.O=c1ccc(-c2cnc(OCC(F)(F)F)nc2)nn1Cc1cnc(C(F)F)s1.O=c1ccc(-c2cnc(OCC(F)F)nc2)nn1Cc1cccc(F)c1.O=c1ccc(-c2cnc(OCC3COC3)nc2)nn1Cc1cccc(F)c1
InChIInChI=1S/C20H21FN4O2.C19H17FN4O3.C18H18FN5O2.C18H17FN4O2S.C17H13F3N4O2.C17H15FN4O2S.C16H14F3N5O2S2.C15H10F5N5O2S/c1-20(2,3)13-27-19-22-10-15(11-23-19)17-7-8-18(26)25(24-17)12-14-5-4-6-16(21)9-14;20-16-3-1-2-13(6-16)9-24-18(25)5-4-17(23-24)15-7-21-19(22-8-15)27-12-14-10-26-11-14;1-12(2)11-26-18-21-7-14(8-22-18)16-3-4-17(25)24(23-16)10-13-5-15(19)9-20-6-13;1-26-8-7-25-18-20-10-14(11-21-18)16-5-6-17(24)23(22-16)12-13-3-2-4-15(19)9-13;18-13-3-1-2-11(6-13)9-24-16(25)5-4-14(23-24)12-7-21-17(22-8-12)26-10-15(19)20;1-25-11-24-17-19-8-13(9-20-17)15-5-6-16(23)22(21-15)10-12-3-2-4-14(18)7-12;1-27-8-13-20-6-11(28-13)7-24-14(25)3-2-12(23-24)10-4-21-15(22-5-10)26-9-16(17,18)19;16-12(17)13-21-5-9(28-13)6-25-11(26)2-1-10(24-25)8-3-22-14(23-4-8)27-7-15(18,19)20/h4-11H,12-13H2,1-3H3;1-8,14H,9-12H2;3-9,12H,10-11H2,1-2H3;2-6,9-11H,7-8,12H2,1H3;1-8,15H,9-10H2;2-9H,10-11H2,1H3;2-6H,7-9H2,1H3;1-5,12H,6-7H2
InChIKeyBPGKRFAYSICEEP-UHFFFAOYSA-N
MW3034.07 g/mol
LogP21.38
Rot. Bonds49

About 6-[2-(2,2-difluoroethoxy)pyrimidin-5-yl]-2-[(3-fluorophenyl)methyl]pyridazin-3-one;2-[[2-(difluoromethyl)-1,3-thiazol-5-yl]methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one;6-[2-(2,2-dimethylpropoxy)pyrimidin-5-yl]-2-[(3-fluorophenyl)methyl]pyridazin-3-one;2-[(3-fluorophenyl)methyl]-6-[2-(2-methylsulfanylethoxy)pyrimidin-5-yl]pyridazin-3-one;2-[(3-fluorophenyl)methyl]-6-[2-(methylsulfanylmethoxy)pyrimidin-5-yl]pyridazin-3-one;2-[(3-fluorophenyl)methyl]-6-[2-(oxetan-3-ylmethoxy)pyrimidin-5-yl]pyridazin-3-one;2-[(5-fluoro-3-pyridinyl)methyl]-6-[2-(2-methylpropoxy)pyrimidin-5-yl]pyridazin-3-one;2-[[2-(methylsulfanylmethyl)-1,3-thiazol-5-yl]methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one

6-[2-(2,2-difluoroethoxy)pyrimidin-5-yl]-2-[(3-fluorophenyl)methyl]pyridazin-3-one;2-[[2-(difluoromethyl)-1,3-thiazol-5-yl]methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one;6-[2-(2,2-dimethylpropoxy)pyrimidin-5-yl]-2-[(3-fluorophenyl)methyl]pyridazin-3-one;2-[(3-fluorophenyl)methyl]-6-[2-(2-methylsulfanylethoxy)pyrimidin-5-yl]pyridazin-3-one;2-[(3-fluorophenyl)methyl]-6-[2-(methylsulfanylmethoxy)pyrimidin-5-yl]pyridazin-3-one;2-[(3-fluorophenyl)methyl]-6-[2-(oxetan-3-ylmethoxy)pyrimidin-5-yl]pyridazin-3-one;2-[(5-fluoro-3-pyridinyl)methyl]-6-[2-(2-methylpropoxy)pyrimidin-5-yl]pyridazin-3-one;2-[[2-(methylsulfanylmethyl)-1,3-thiazol-5-yl]methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one (PubChem CID 157419688) has the molecular formula C140H125F16N35O17S5 and a molecular weight of 3034.07 g/mol. Its IUPAC name is 6-[2-(2,2-difluoroethoxy)pyrimidin-5-yl]-2-[(3-fluorophenyl)methyl]pyridazin-3-one;2-[[2-(difluoromethyl)-1,3-thiazol-5-yl]methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one;6-[2-(2,2-dimethylpropoxy)pyrimidin-5-yl]-2-[(3-fluorophenyl)methyl]pyridazin-3-one;2-[(3-fluorophenyl)methyl]-6-[2-(2-methylsulfanylethoxy)pyrimidin-5-yl]pyridazin-3-one;2-[(3-fluorophenyl)methyl]-6-[2-(methylsulfanylmethoxy)pyrimidin-5-yl]pyridazin-3-one;2-[(3-fluorophenyl)methyl]-6-[2-(oxetan-3-ylmethoxy)pyrimidin-5-yl]pyridazin-3-one;2-[(5-fluoro-3-pyridinyl)methyl]-6-[2-(2-methylpropoxy)pyrimidin-5-yl]pyridazin-3-one;2-[[2-(methylsulfanylmethyl)-1,3-thiazol-5-yl]methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one.

Molecular Properties

Compound Name6-[2-(2,2-difluoroethoxy)pyrimidin-5-yl]-2-[(3-fluorophenyl)methyl]pyridazin-3-one;2-[[2-(difluoromethyl)-1,3-thiazol-5-yl]methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one;6-[2-(2,2-dimethylpropoxy)pyrimidin-5-yl]-2-[(3-fluorophenyl)methyl]pyridazin-3-one;2-[(3-fluorophenyl)methyl]-6-[2-(2-methylsulfanylethoxy)pyrimidin-5-yl]pyridazin-3-one;2-[(3-fluorophenyl)methyl]-6-[2-(methylsulfanylmethoxy)pyrimidin-5-yl]pyridazin-3-one;2-[(3-fluorophenyl)methyl]-6-[2-(oxetan-3-ylmethoxy)pyrimidin-5-yl]pyridazin-3-one;2-[(5-fluoro-3-pyridinyl)methyl]-6-[2-(2-methylpropoxy)pyrimidin-5-yl]pyridazin-3-one;2-[[2-(methylsulfanylmethyl)-1,3-thiazol-5-yl]methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one
PubChem CID157419688
Molecular FormulaC140H125F16N35O17S5
Molecular Weight3034.07 g/mol
Exact Mass3031.83
IUPAC Name6-[2-(2,2-difluoroethoxy)pyrimidin-5-yl]-2-[(3-fluorophenyl)methyl]pyridazin-3-one;2-[[2-(difluoromethyl)-1,3-thiazol-5-yl]methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one;6-[2-(2,2-dimethylpropoxy)pyrimidin-5-yl]-2-[(3-fluorophenyl)methyl]pyridazin-3-one;2-[(3-fluorophenyl)methyl]-6-[2-(2-methylsulfanylethoxy)pyrimidin-5-yl]pyridazin-3-one;2-[(3-fluorophenyl)methyl]-6-[2-(methylsulfanylmethoxy)pyrimidin-5-yl]pyridazin-3-one;2-[(3-fluorophenyl)methyl]-6-[2-(oxetan-3-ylmethoxy)pyrimidin-5-yl]pyridazin-3-one;2-[(5-fluoro-3-pyridinyl)methyl]-6-[2-(2-methylpropoxy)pyrimidin-5-yl]pyridazin-3-one;2-[[2-(methylsulfanylmethyl)-1,3-thiazol-5-yl]methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one
SMILESCC(C)(C)COc1ncc(-c2ccc(=O)n(Cc3cccc(F)c3)n2)cn1.CC(C)COc1ncc(-c2ccc(=O)n(Cc3cncc(F)c3)n2)cn1.CSCCOc1ncc(-c2ccc(=O)n(Cc3cccc(F)c3)n2)cn1.CSCOc1ncc(-c2ccc(=O)n(Cc3cccc(F)c3)n2)cn1.CSCc1ncc(Cn2nc(-c3cnc(OCC(F)(F)F)nc3)ccc2=O)s1.O=c1ccc(-c2cnc(OCC(F)(F)F)nc2)nn1Cc1cnc(C(F)F)s1.O=c1ccc(-c2cnc(OCC(F)F)nc2)nn1Cc1cccc(F)c1.O=c1ccc(-c2cnc(OCC3COC3)nc2)nn1Cc1cccc(F)c1
InChIInChI=1S/C20H21FN4O2.C19H17FN4O3.C18H18FN5O2.C18H17FN4O2S.C17H13F3N4O2.C17H15FN4O2S.C16H14F3N5O2S2.C15H10F5N5O2S/c1-20(2,3)13-27-19-22-10-15(11-23-19)17-7-8-18(26)25(24-17)12-14-5-4-6-16(21)9-14;20-16-3-1-2-13(6-16)9-24-18(25)5-4-17(23-24)15-7-21-19(22-8-15)27-12-14-10-26-11-14;1-12(2)11-26-18-21-7-14(8-22-18)16-3-4-17(25)24(23-16)10-13-5-15(19)9-20-6-13;1-26-8-7-25-18-20-10-14(11-21-18)16-5-6-17(24)23(22-16)12-13-3-2-4-15(19)9-13;18-13-3-1-2-11(6-13)9-24-16(25)5-4-14(23-24)12-7-21-17(22-8-12)26-10-15(19)20;1-25-11-24-17-19-8-13(9-20-17)15-5-6-16(23)22(21-15)10-12-3-2-4-14(18)7-12;1-27-8-13-20-6-11(28-13)7-24-14(25)3-2-12(23-24)10-4-21-15(22-5-10)26-9-16(17,18)19;16-12(17)13-21-5-9(28-13)6-25-11(26)2-1-10(24-25)8-3-22-14(23-4-8)27-7-15(18,19)20/h4-11H,12-13H2,1-3H3;1-8,14H,9-12H2;3-9,12H,10-11H2,1-2H3;2-6,9-11H,7-8,12H2,1H3;1-8,15H,9-10H2;2-9H,10-11H2,1H3;2-6H,7-9H2,1H3;1-5,12H,6-7H2
InChIKeyBPGKRFAYSICEEP-UHFFFAOYSA-N
XLogP21.38
TPSA607.10 Ų
H-Bond Donors
H-Bond Acceptors57
Rotatable Bonds49
Heavy Atoms213
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003034.07
LogP ≤ 521.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1057

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 6-[2-(2,2-difluoroethoxy)pyrimidin-5-yl]-2-[(3-fluorophenyl)methyl]pyridazin-3-one;2-[[2-(difluoromethyl)-1,3-thiazol-5-yl]methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one;6-[2-(2,2-dimethylpropoxy)pyrimidin-5-yl]-2-[(3-fluorophenyl)methyl]pyridazin-3-one;2-[(3-fluorophenyl)methyl]-6-[2-(2-methylsulfanylethoxy)pyrimidin-5-yl]pyridazin-3-one;2-[(3-fluorophenyl)methyl]-6-[2-(methylsulfanylmethoxy)pyrimidin-5-yl]pyridazin-3-one;2-[(3-fluorophenyl)methyl]-6-[2-(oxetan-3-ylmethoxy)pyrimidin-5-yl]pyridazin-3-one;2-[(5-fluoro-3-pyridinyl)methyl]-6-[2-(2-methylpropoxy)pyrimidin-5-yl]pyridazin-3-one;2-[[2-(methylsulfanylmethyl)-1,3-thiazol-5-yl]methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(2,2-difluoroethoxy)pyrimidin-5-yl]-2-[(3-fluorophenyl)methyl]pyridazin-3-one;2-[[2-(difluoromethyl)-1,3-thiazol-5-yl]methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one;6-[2-(2,2-dimethylpropoxy)pyrimidin-5-yl]-2-[(3-fluorophenyl)methyl]pyridazin-3-one;2-[(3-fluorophenyl)methyl]-6-[2-(2-methylsulfanylethoxy)pyrimidin-5-yl]pyridazin-3-one;2-[(3-fluorophenyl)methyl]-6-[2-(methylsulfanylmethoxy)pyrimidin-5-yl]pyridazin-3-one;2-[(3-fluorophenyl)methyl]-6-[2-(oxetan-3-ylmethoxy)pyrimidin-5-yl]pyridazin-3-one;2-[(5-fluoro-3-pyridinyl)methyl]-6-[2-(2-methylpropoxy)pyrimidin-5-yl]pyridazin-3-one;2-[[2-(methylsulfanylmethyl)-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-difluoroethoxy)pyrimidin-5-yl]-2-[(3-fluorophenyl)methyl]pyridazin-3-one;2-[[2-(difluoromethyl)-1,3-thiazol-5-yl]methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one;6-[2-(2,2-dimethylpropoxy)pyrimidin-5-yl]-2-[(3-fluorophenyl)methyl]pyridazin-3-one;2-[(3-fluorophenyl)methyl]-6-[2-(2-methylsulfanylethoxy)pyrimidin-5-yl]pyridazin-3-one;2-[(3-fluorophenyl)methyl]-6-[2-(methylsulfanylmethoxy)pyrimidin-5-yl]pyridazin-3-one;2-[(3-fluorophenyl)methyl]-6-[2-(oxetan-3-ylmethoxy)pyrimidin-5-yl]pyridazin-3-one;2-[(5-fluoro-3-pyridinyl)methyl]-6-[2-(2-methylpropoxy)pyrimidin-5-yl]pyridazin-3-one;2-[[2-(methylsulfanylmethyl)-1,3-thiazol-5-yl]methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one (CID 157419688) is 6-[2-(2,2-difluoroethoxy)pyrimidin-5-yl]-2-[(3-fluorophenyl)methyl]pyridazin-3-one;2-[[2-(difluoromethyl)-1,3-thiazol-5-yl]methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one;6-[2-(2,2-dimethylpropoxy)pyrimidin-5-yl]-2-[(3-fluorophenyl)methyl]pyridazin-3-one;2-[(3-fluorophenyl)methyl]-6-[2-(2-methylsulfanylethoxy)pyrimidin-5-yl]pyridazin-3-one;2-[(3-fluorophenyl)methyl]-6-[2-(methylsulfanylmethoxy)pyrimidin-5-yl]pyridazin-3-one;2-[(3-fluorophenyl)methyl]-6-[2-(oxetan-3-ylmethoxy)pyrimidin-5-yl]pyridazin-3-one;2-[(5-fluoro-3-pyridinyl)methyl]-6-[2-(2-methylpropoxy)pyrimidin-5-yl]pyridazin-3-one;2-[[2-(methylsulfanylmethyl)-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-difluoroethoxy)pyrimidin-5-yl]-2-[(3-fluorophenyl)methyl]pyridazin-3-one;2-[[2-(difluoromethyl)-1,3-thiazol-5-yl]methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one;6-[2-(2,2-dimethylpropoxy)pyrimidin-5-yl]-2-[(3-fluorophenyl)methyl]pyridazin-3-one;2-[(3-fluorophenyl)methyl]-6-[2-(2-methylsulfanylethoxy)pyrimidin-5-yl]pyridazin-3-one;2-[(3-fluorophenyl)methyl]-6-[2-(methylsulfanylmethoxy)pyrimidin-5-yl]pyridazin-3-one;2-[(3-fluorophenyl)methyl]-6-[2-(oxetan-3-ylmethoxy)pyrimidin-5-yl]pyridazin-3-one;2-[(5-fluoro-3-pyridinyl)methyl]-6-[2-(2-methylpropoxy)pyrimidin-5-yl]pyridazin-3-one;2-[[2-(methylsulfanylmethyl)-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-difluoroethoxy)pyrimidin-5-yl]-2-[(3-fluorophenyl)methyl]pyridazin-3-one;2-[[2-(difluoromethyl)-1,3-thiazol-5-yl]methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one;6-[2-(2,2-dimethylpropoxy)pyrimidin-5-yl]-2-[(3-fluorophenyl)methyl]pyridazin-3-one;2-[(3-fluorophenyl)methyl]-6-[2-(2-methylsulfanylethoxy)pyrimidin-5-yl]pyridazin-3-one;2-[(3-fluorophenyl)methyl]-6-[2-(methylsulfanylmethoxy)pyrimidin-5-yl]pyridazin-3-one;2-[(3-fluorophenyl)methyl]-6-[2-(oxetan-3-ylmethoxy)pyrimidin-5-yl]pyridazin-3-one;2-[(5-fluoro-3-pyridinyl)methyl]-6-[2-(2-methylpropoxy)pyrimidin-5-yl]pyridazin-3-one;2-[[2-(methylsulfanylmethyl)-1,3-thiazol-5-yl]methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one is CC(C)(C)COc1ncc(-c2ccc(=O)n(Cc3cccc(F)c3)n2)cn1.CC(C)COc1ncc(-c2ccc(=O)n(Cc3cncc(F)c3)n2)cn1.CSCCOc1ncc(-c2ccc(=O)n(Cc3cccc(F)c3)n2)cn1.CSCOc1ncc(-c2ccc(=O)n(Cc3cccc(F)c3)n2)cn1.CSCc1ncc(Cn2nc(-c3cnc(OCC(F)(F)F)nc3)ccc2=O)s1.O=c1ccc(-c2cnc(OCC(F)(F)F)nc2)nn1Cc1cnc(C(F)F)s1.O=c1ccc(-c2cnc(OCC(F)F)nc2)nn1Cc1cccc(F)c1.O=c1ccc(-c2cnc(OCC3COC3)nc2)nn1Cc1cccc(F)c1.
What is the InChIKey of 6-[2-(2,2-difluoroethoxy)pyrimidin-5-yl]-2-[(3-fluorophenyl)methyl]pyridazin-3-one;2-[[2-(difluoromethyl)-1,3-thiazol-5-yl]methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one;6-[2-(2,2-dimethylpropoxy)pyrimidin-5-yl]-2-[(3-fluorophenyl)methyl]pyridazin-3-one;2-[(3-fluorophenyl)methyl]-6-[2-(2-methylsulfanylethoxy)pyrimidin-5-yl]pyridazin-3-one;2-[(3-fluorophenyl)methyl]-6-[2-(methylsulfanylmethoxy)pyrimidin-5-yl]pyridazin-3-one;2-[(3-fluorophenyl)methyl]-6-[2-(oxetan-3-ylmethoxy)pyrimidin-5-yl]pyridazin-3-one;2-[(5-fluoro-3-pyridinyl)methyl]-6-[2-(2-methylpropoxy)pyrimidin-5-yl]pyridazin-3-one;2-[[2-(methylsulfanylmethyl)-1,3-thiazol-5-yl]methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one?
The InChIKey is BPGKRFAYSICEEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4O2.C19H17FN4O3.C18H18FN5O2.C18H17FN4O2S.C17H13F3N4O2.C17H15FN4O2S.C16H14F3N5O2S2.C15H10F5N5O2S/c1-20(2,3)13-27-19-22-10-15(11-23-19)17-7-8-18(26)25(24-17)12-14-5-4-6-16(21)9-14;20-16-3-1-2-13(6-16)9-24-18(25)5-4-17(23-24)15-7-21-19(22-8-15)27-12-14-10-26-11-14;1-12(2)11-26-18-21-7-14(8-22-18)16-3-4-17(25)24(23-16)10-13-5-15(19)9-20-6-13;1-26-8-7-25-18-20-10-14(11-21-18)16-5-6-17(24)23(22-16)12-13-3-2-4-15(19)9-13;18-13-3-1-2-11(6-13)9-24-16(25)5-4-14(23-24)12-7-21-17(22-8-12)26-10-15(19)20;1-25-11-24-17-19-8-13(9-20-17)15-5-6-16(23)22(21-15)10-12-3-2-4-14(18)7-12;1-27-8-13-20-6-11(28-13)7-24-14(25)3-2-12(23-24)10-4-21-15(22-5-10)26-9-16(17,18)19;16-12(17)13-21-5-9(28-13)6-25-11(26)2-1-10(24-25)8-3-22-14(23-4-8)27-7-15(18,19)20/h4-11H,12-13H2,1-3H3;1-8,14H,9-12H2;3-9,12H,10-11H2,1-2H3;2-6,9-11H,7-8,12H2,1H3;1-8,15H,9-10H2;2-9H,10-11H2,1H3;2-6H,7-9H2,1H3;1-5,12H,6-7H2.
What are the key properties of 6-[2-(2,2-difluoroethoxy)pyrimidin-5-yl]-2-[(3-fluorophenyl)methyl]pyridazin-3-one;2-[[2-(difluoromethyl)-1,3-thiazol-5-yl]methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one;6-[2-(2,2-dimethylpropoxy)pyrimidin-5-yl]-2-[(3-fluorophenyl)methyl]pyridazin-3-one;2-[(3-fluorophenyl)methyl]-6-[2-(2-methylsulfanylethoxy)pyrimidin-5-yl]pyridazin-3-one;2-[(3-fluorophenyl)methyl]-6-[2-(methylsulfanylmethoxy)pyrimidin-5-yl]pyridazin-3-one;2-[(3-fluorophenyl)methyl]-6-[2-(oxetan-3-ylmethoxy)pyrimidin-5-yl]pyridazin-3-one;2-[(5-fluoro-3-pyridinyl)methyl]-6-[2-(2-methylpropoxy)pyrimidin-5-yl]pyridazin-3-one;2-[[2-(methylsulfanylmethyl)-1,3-thiazol-5-yl]methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one?
6-[2-(2,2-difluoroethoxy)pyrimidin-5-yl]-2-[(3-fluorophenyl)methyl]pyridazin-3-one;2-[[2-(difluoromethyl)-1,3-thiazol-5-yl]methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one;6-[2-(2,2-dimethylpropoxy)pyrimidin-5-yl]-2-[(3-fluorophenyl)methyl]pyridazin-3-one;2-[(3-fluorophenyl)methyl]-6-[2-(2-methylsulfanylethoxy)pyrimidin-5-yl]pyridazin-3-one;2-[(3-fluorophenyl)methyl]-6-[2-(methylsulfanylmethoxy)pyrimidin-5-yl]pyridazin-3-one;2-[(3-fluorophenyl)methyl]-6-[2-(oxetan-3-ylmethoxy)pyrimidin-5-yl]pyridazin-3-one;2-[(5-fluoro-3-pyridinyl)methyl]-6-[2-(2-methylpropoxy)pyrimidin-5-yl]pyridazin-3-one;2-[[2-(methylsulfanylmethyl)-1,3-thiazol-5-yl]methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one has a molecular weight of 3034.07 g/mol, XLogP of 21.38, 49 rotatable bonds, 0 hydrogen bond donors, and 57 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(2,2-difluoroethoxy)pyrimidin-5-yl]-2-[(3-fluorophenyl)methyl]pyridazin-3-one;2-[[2-(difluoromethyl)-1,3-thiazol-5-yl]methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one;6-[2-(2,2-dimethylpropoxy)pyrimidin-5-yl]-2-[(3-fluorophenyl)methyl]pyridazin-3-one;2-[(3-fluorophenyl)methyl]-6-[2-(2-methylsulfanylethoxy)pyrimidin-5-yl]pyridazin-3-one;2-[(3-fluorophenyl)methyl]-6-[2-(methylsulfanylmethoxy)pyrimidin-5-yl]pyridazin-3-one;2-[(3-fluorophenyl)methyl]-6-[2-(oxetan-3-ylmethoxy)pyrimidin-5-yl]pyridazin-3-one;2-[(5-fluoro-3-pyridinyl)methyl]-6-[2-(2-methylpropoxy)pyrimidin-5-yl]pyridazin-3-one;2-[[2-(methylsulfanylmethyl)-1,3-thiazol-5-yl]methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one is sourced from PubChem (CID 157419688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).