6-[2-[(2R)-butan-2-yl]oxypyrimidin-5-yl]-2-[(3-fluorophenyl)methyl]pyridazin-3-one;6-[2-(cyclobutylmethoxy)pyrimidin-5-yl]-2-[(3-fluorophenyl)methyl]pyridazin-3-one;2-[(2-cyclobutyl-1,3-thiazol-5-yl)methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one;2-[(2-ethyl-1,3-thiazol-5-yl)methyl]-6-[2-(2-methylpropoxy)pyrimidin-5-yl]pyridazin-3-one;6-[2-(2-fluoro-2-methylpropoxy)pyrimidin-5-yl]-2-[(3-fluorophenyl)methyl]pyridazin-3-one;2-[(3-fluorophenyl)methyl]-6-[2-(2-methoxy-2-methylpropoxy)pyrimidin-5-yl]pyridazin-3-one;2-[(3-fluorophenyl)methyl]-6-[2-(2-methylsulfanylpropoxy)pyrimidin-5-yl]pyridazin-3-one;2-[(3-methoxyphenyl)methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one

C151H148F12N34O18S3 — CID 159293239

IUPAC6-[2-[(2R)-butan-2-yl]oxypyrimidin-5-yl]-2-[(3-fluorophenyl)methyl]pyridazin-3-one;6-[2-(cyclobutylmethoxy)pyrimidin-5-yl]-2-[(3-fluorophenyl)methyl]pyridazin-3-one;2-[(2-cyclobutyl-1,3-thiazol-5-yl)methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one;2-[(2-ethyl-1,3-thiazol-5-yl)methyl]-6-[2-(2-methylpropoxy)pyrimidin-5-yl]pyridazin-3-one;6-[2-(2-fluoro-2-methylpropoxy)pyrimidin-5-yl]-2-[(3-fluorophenyl)methyl]pyridazin-3-one;2-[(3-fluorophenyl)methyl]-6-[2-(2-methoxy-2-methylpropoxy)pyrimidin-5-yl]pyridazin-3-one;2-[(3-fluorophenyl)methyl]-6-[2-(2-methylsulfanylpropoxy)pyrimidin-5-yl]pyridazin-3-one;2-[(3-methoxyphenyl)methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one
SMILESCC(C)(F)COc1ncc(-c2ccc(=O)n(Cc3cccc(F)c3)n2)cn1.CC[C@@H](C)Oc1ncc(-c2ccc(=O)n(Cc3cccc(F)c3)n2)cn1.CCc1ncc(Cn2nc(-c3cnc(OCC(C)C)nc3)ccc2=O)s1.COC(C)(C)COc1ncc(-c2ccc(=O)n(Cc3cccc(F)c3)n2)cn1.COc1cccc(Cn2nc(-c3cnc(OCC(F)(F)F)nc3)ccc2=O)c1.CSC(C)COc1ncc(-c2ccc(=O)n(Cc3cccc(F)c3)n2)cn1.O=c1ccc(-c2cnc(OCC(F)(F)F)nc2)nn1Cc1cnc(C2CCC2)s1.O=c1ccc(-c2cnc(OCC3CCC3)nc2)nn1Cc1cccc(F)c1
InChIInChI=1S/C20H21FN4O3.C20H19FN4O2.C19H18F2N4O2.C19H19FN4O2S.C19H19FN4O2.C18H16F3N5O2S.C18H15F3N4O3.C18H21N5O2S/c1-20(2,27-3)13-28-19-22-10-15(11-23-19)17-7-8-18(26)25(24-17)12-14-5-4-6-16(21)9-14;21-17-6-2-5-15(9-17)12-25-19(26)8-7-18(24-25)16-10-22-20(23-11-16)27-13-14-3-1-4-14;1-19(2,21)12-27-18-22-9-14(10-23-18)16-6-7-17(26)25(24-16)11-13-4-3-5-15(20)8-13;1-13(27-2)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;1-3-13(2)26-19-21-10-15(11-22-19)17-7-8-18(25)24(23-17)12-14-5-4-6-16(20)9-14;19-18(20,21)10-28-17-23-6-12(7-24-17)14-4-5-15(27)26(25-14)9-13-8-22-16(29-13)11-2-1-3-11;1-27-14-4-2-3-12(7-14)10-25-16(26)6-5-15(24-25)13-8-22-17(23-9-13)28-11-18(19,20)21;1-4-16-19-9-14(26-16)10-23-17(24)6-5-15(22-23)13-7-20-18(21-8-13)25-11-12(2)3/h4-11H,12-13H2,1-3H3;2,5-11,14H,1,3-4,12-13H2;3-10H,11-12H2,1-2H3;3-10,13H,11-12H2,1-2H3;4-11,13H,3,12H2,1-2H3;4-8,11H,1-3,9-10H2;2-9H,10-11H2,1H3;5-9,12H,4,10-11H2,1-3H3/t;;;;13-;;;/m....1.../s1
InChIKeyLAJURQFKUVLHHH-AQVBBNGLSA-N
MW3051.24 g/mol
LogP23.77
Rot. Bonds51

About 6-[2-[(2R)-butan-2-yl]oxypyrimidin-5-yl]-2-[(3-fluorophenyl)methyl]pyridazin-3-one;6-[2-(cyclobutylmethoxy)pyrimidin-5-yl]-2-[(3-fluorophenyl)methyl]pyridazin-3-one;2-[(2-cyclobutyl-1,3-thiazol-5-yl)methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one;2-[(2-ethyl-1,3-thiazol-5-yl)methyl]-6-[2-(2-methylpropoxy)pyrimidin-5-yl]pyridazin-3-one;6-[2-(2-fluoro-2-methylpropoxy)pyrimidin-5-yl]-2-[(3-fluorophenyl)methyl]pyridazin-3-one;2-[(3-fluorophenyl)methyl]-6-[2-(2-methoxy-2-methylpropoxy)pyrimidin-5-yl]pyridazin-3-one;2-[(3-fluorophenyl)methyl]-6-[2-(2-methylsulfanylpropoxy)pyrimidin-5-yl]pyridazin-3-one;2-[(3-methoxyphenyl)methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one

6-[2-[(2R)-butan-2-yl]oxypyrimidin-5-yl]-2-[(3-fluorophenyl)methyl]pyridazin-3-one;6-[2-(cyclobutylmethoxy)pyrimidin-5-yl]-2-[(3-fluorophenyl)methyl]pyridazin-3-one;2-[(2-cyclobutyl-1,3-thiazol-5-yl)methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one;2-[(2-ethyl-1,3-thiazol-5-yl)methyl]-6-[2-(2-methylpropoxy)pyrimidin-5-yl]pyridazin-3-one;6-[2-(2-fluoro-2-methylpropoxy)pyrimidin-5-yl]-2-[(3-fluorophenyl)methyl]pyridazin-3-one;2-[(3-fluorophenyl)methyl]-6-[2-(2-methoxy-2-methylpropoxy)pyrimidin-5-yl]pyridazin-3-one;2-[(3-fluorophenyl)methyl]-6-[2-(2-methylsulfanylpropoxy)pyrimidin-5-yl]pyridazin-3-one;2-[(3-methoxyphenyl)methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one (PubChem CID 159293239) has the molecular formula C151H148F12N34O18S3 and a molecular weight of 3051.24 g/mol. Its IUPAC name is 6-[2-[(2R)-butan-2-yl]oxypyrimidin-5-yl]-2-[(3-fluorophenyl)methyl]pyridazin-3-one;6-[2-(cyclobutylmethoxy)pyrimidin-5-yl]-2-[(3-fluorophenyl)methyl]pyridazin-3-one;2-[(2-cyclobutyl-1,3-thiazol-5-yl)methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one;2-[(2-ethyl-1,3-thiazol-5-yl)methyl]-6-[2-(2-methylpropoxy)pyrimidin-5-yl]pyridazin-3-one;6-[2-(2-fluoro-2-methylpropoxy)pyrimidin-5-yl]-2-[(3-fluorophenyl)methyl]pyridazin-3-one;2-[(3-fluorophenyl)methyl]-6-[2-(2-methoxy-2-methylpropoxy)pyrimidin-5-yl]pyridazin-3-one;2-[(3-fluorophenyl)methyl]-6-[2-(2-methylsulfanylpropoxy)pyrimidin-5-yl]pyridazin-3-one;2-[(3-methoxyphenyl)methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one.

Molecular Properties

Compound Name6-[2-[(2R)-butan-2-yl]oxypyrimidin-5-yl]-2-[(3-fluorophenyl)methyl]pyridazin-3-one;6-[2-(cyclobutylmethoxy)pyrimidin-5-yl]-2-[(3-fluorophenyl)methyl]pyridazin-3-one;2-[(2-cyclobutyl-1,3-thiazol-5-yl)methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one;2-[(2-ethyl-1,3-thiazol-5-yl)methyl]-6-[2-(2-methylpropoxy)pyrimidin-5-yl]pyridazin-3-one;6-[2-(2-fluoro-2-methylpropoxy)pyrimidin-5-yl]-2-[(3-fluorophenyl)methyl]pyridazin-3-one;2-[(3-fluorophenyl)methyl]-6-[2-(2-methoxy-2-methylpropoxy)pyrimidin-5-yl]pyridazin-3-one;2-[(3-fluorophenyl)methyl]-6-[2-(2-methylsulfanylpropoxy)pyrimidin-5-yl]pyridazin-3-one;2-[(3-methoxyphenyl)methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one
PubChem CID159293239
Molecular FormulaC151H148F12N34O18S3
Molecular Weight3051.24 g/mol
Exact Mass3049.07
IUPAC Name6-[2-[(2R)-butan-2-yl]oxypyrimidin-5-yl]-2-[(3-fluorophenyl)methyl]pyridazin-3-one;6-[2-(cyclobutylmethoxy)pyrimidin-5-yl]-2-[(3-fluorophenyl)methyl]pyridazin-3-one;2-[(2-cyclobutyl-1,3-thiazol-5-yl)methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one;2-[(2-ethyl-1,3-thiazol-5-yl)methyl]-6-[2-(2-methylpropoxy)pyrimidin-5-yl]pyridazin-3-one;6-[2-(2-fluoro-2-methylpropoxy)pyrimidin-5-yl]-2-[(3-fluorophenyl)methyl]pyridazin-3-one;2-[(3-fluorophenyl)methyl]-6-[2-(2-methoxy-2-methylpropoxy)pyrimidin-5-yl]pyridazin-3-one;2-[(3-fluorophenyl)methyl]-6-[2-(2-methylsulfanylpropoxy)pyrimidin-5-yl]pyridazin-3-one;2-[(3-methoxyphenyl)methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one
SMILESCC(C)(F)COc1ncc(-c2ccc(=O)n(Cc3cccc(F)c3)n2)cn1.CC[C@@H](C)Oc1ncc(-c2ccc(=O)n(Cc3cccc(F)c3)n2)cn1.CCc1ncc(Cn2nc(-c3cnc(OCC(C)C)nc3)ccc2=O)s1.COC(C)(C)COc1ncc(-c2ccc(=O)n(Cc3cccc(F)c3)n2)cn1.COc1cccc(Cn2nc(-c3cnc(OCC(F)(F)F)nc3)ccc2=O)c1.CSC(C)COc1ncc(-c2ccc(=O)n(Cc3cccc(F)c3)n2)cn1.O=c1ccc(-c2cnc(OCC(F)(F)F)nc2)nn1Cc1cnc(C2CCC2)s1.O=c1ccc(-c2cnc(OCC3CCC3)nc2)nn1Cc1cccc(F)c1
InChIInChI=1S/C20H21FN4O3.C20H19FN4O2.C19H18F2N4O2.C19H19FN4O2S.C19H19FN4O2.C18H16F3N5O2S.C18H15F3N4O3.C18H21N5O2S/c1-20(2,27-3)13-28-19-22-10-15(11-23-19)17-7-8-18(26)25(24-17)12-14-5-4-6-16(21)9-14;21-17-6-2-5-15(9-17)12-25-19(26)8-7-18(24-25)16-10-22-20(23-11-16)27-13-14-3-1-4-14;1-19(2,21)12-27-18-22-9-14(10-23-18)16-6-7-17(26)25(24-16)11-13-4-3-5-15(20)8-13;1-13(27-2)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;1-3-13(2)26-19-21-10-15(11-22-19)17-7-8-18(25)24(23-17)12-14-5-4-6-16(20)9-14;19-18(20,21)10-28-17-23-6-12(7-24-17)14-4-5-15(27)26(25-14)9-13-8-22-16(29-13)11-2-1-3-11;1-27-14-4-2-3-12(7-14)10-25-16(26)6-5-15(24-25)13-8-22-17(23-9-13)28-11-18(19,20)21;1-4-16-19-9-14(26-16)10-23-17(24)6-5-15(22-23)13-7-20-18(21-8-13)25-11-12(2)3/h4-11H,12-13H2,1-3H3;2,5-11,14H,1,3-4,12-13H2;3-10H,11-12H2,1-2H3;3-10,13H,11-12H2,1-2H3;4-11,13H,3,12H2,1-2H3;4-8,11H,1-3,9-10H2;2-9H,10-11H2,1H3;5-9,12H,4,10-11H2,1-3H3/t;;;;13-;;;/m....1.../s1
InChIKeyLAJURQFKUVLHHH-AQVBBNGLSA-N
XLogP23.77
TPSA603.44 Ų
H-Bond Donors
H-Bond Acceptors55
Rotatable Bonds51
Heavy Atoms218
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003051.24
LogP ≤ 523.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1055

Analyze 6-[2-[(2R)-butan-2-yl]oxypyrimidin-5-yl]-2-[(3-fluorophenyl)methyl]pyridazin-3-one;6-[2-(cyclobutylmethoxy)pyrimidin-5-yl]-2-[(3-fluorophenyl)methyl]pyridazin-3-one;2-[(2-cyclobutyl-1,3-thiazol-5-yl)methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one;2-[(2-ethyl-1,3-thiazol-5-yl)methyl]-6-[2-(2-methylpropoxy)pyrimidin-5-yl]pyridazin-3-one;6-[2-(2-fluoro-2-methylpropoxy)pyrimidin-5-yl]-2-[(3-fluorophenyl)methyl]pyridazin-3-one;2-[(3-fluorophenyl)methyl]-6-[2-(2-methoxy-2-methylpropoxy)pyrimidin-5-yl]pyridazin-3-one;2-[(3-fluorophenyl)methyl]-6-[2-(2-methylsulfanylpropoxy)pyrimidin-5-yl]pyridazin-3-one;2-[(3-methoxyphenyl)methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one with MolForge

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Related Compounds

6-[2-[(2S)-butan-2-yl]oxypyrimidin-5-yl]-2-[(3-fluorophenyl)methyl]pyridazin-3-one;6-[2-(cyclobutylmethoxy)pyrimidin-5-yl]-2-[(3-fluorophenyl)methyl]pyridazin-3-one;2-[(2-cyclobutyl-1,3-thiazol-5-yl)methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one;6-[2-(cyclopropylmethoxy)pyrimidin-5-yl]-2-[(3-fluorophenyl)methyl]pyridazin-3-one;2-[(2-ethyl-1,3-thiazol-5-yl)methyl]-6-[2-(2-methylpropoxy)pyrimidin-5-yl]pyridazin-3-one;6-[2-(2-fluoro-2-methylpropoxy)pyrimidin-5-yl]-2-[(3-fluorophenyl)methyl]pyridazin-3-one;2-[(3-fluorophenyl)methyl]-6-[2-(2-methoxy-2-methylpropoxy)pyrimidin-5-yl]pyridazin-3-one;2-[(3-fluorophenyl)methyl]-6-[2-(2-methylsulfanylpropoxy)pyrimidin-5-yl]pyridazin-3-one
CID 158268334
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
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-[(5-fluoro-3-pyridinyl)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 160561801
6-[2-[(2R)-butan-2-yl]oxypyrimidin-5-yl]-2-[(3-fluorophenyl)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-methoxyphenyl)methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-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 162041827

Frequently Asked Questions

What is the IUPAC name of 6-[2-[(2R)-butan-2-yl]oxypyrimidin-5-yl]-2-[(3-fluorophenyl)methyl]pyridazin-3-one;6-[2-(cyclobutylmethoxy)pyrimidin-5-yl]-2-[(3-fluorophenyl)methyl]pyridazin-3-one;2-[(2-cyclobutyl-1,3-thiazol-5-yl)methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one;2-[(2-ethyl-1,3-thiazol-5-yl)methyl]-6-[2-(2-methylpropoxy)pyrimidin-5-yl]pyridazin-3-one;6-[2-(2-fluoro-2-methylpropoxy)pyrimidin-5-yl]-2-[(3-fluorophenyl)methyl]pyridazin-3-one;2-[(3-fluorophenyl)methyl]-6-[2-(2-methoxy-2-methylpropoxy)pyrimidin-5-yl]pyridazin-3-one;2-[(3-fluorophenyl)methyl]-6-[2-(2-methylsulfanylpropoxy)pyrimidin-5-yl]pyridazin-3-one;2-[(3-methoxyphenyl)methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one?
The IUPAC name of 6-[2-[(2R)-butan-2-yl]oxypyrimidin-5-yl]-2-[(3-fluorophenyl)methyl]pyridazin-3-one;6-[2-(cyclobutylmethoxy)pyrimidin-5-yl]-2-[(3-fluorophenyl)methyl]pyridazin-3-one;2-[(2-cyclobutyl-1,3-thiazol-5-yl)methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one;2-[(2-ethyl-1,3-thiazol-5-yl)methyl]-6-[2-(2-methylpropoxy)pyrimidin-5-yl]pyridazin-3-one;6-[2-(2-fluoro-2-methylpropoxy)pyrimidin-5-yl]-2-[(3-fluorophenyl)methyl]pyridazin-3-one;2-[(3-fluorophenyl)methyl]-6-[2-(2-methoxy-2-methylpropoxy)pyrimidin-5-yl]pyridazin-3-one;2-[(3-fluorophenyl)methyl]-6-[2-(2-methylsulfanylpropoxy)pyrimidin-5-yl]pyridazin-3-one;2-[(3-methoxyphenyl)methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one (CID 159293239) is 6-[2-[(2R)-butan-2-yl]oxypyrimidin-5-yl]-2-[(3-fluorophenyl)methyl]pyridazin-3-one;6-[2-(cyclobutylmethoxy)pyrimidin-5-yl]-2-[(3-fluorophenyl)methyl]pyridazin-3-one;2-[(2-cyclobutyl-1,3-thiazol-5-yl)methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one;2-[(2-ethyl-1,3-thiazol-5-yl)methyl]-6-[2-(2-methylpropoxy)pyrimidin-5-yl]pyridazin-3-one;6-[2-(2-fluoro-2-methylpropoxy)pyrimidin-5-yl]-2-[(3-fluorophenyl)methyl]pyridazin-3-one;2-[(3-fluorophenyl)methyl]-6-[2-(2-methoxy-2-methylpropoxy)pyrimidin-5-yl]pyridazin-3-one;2-[(3-fluorophenyl)methyl]-6-[2-(2-methylsulfanylpropoxy)pyrimidin-5-yl]pyridazin-3-one;2-[(3-methoxyphenyl)methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one.
What is the SMILES notation for 6-[2-[(2R)-butan-2-yl]oxypyrimidin-5-yl]-2-[(3-fluorophenyl)methyl]pyridazin-3-one;6-[2-(cyclobutylmethoxy)pyrimidin-5-yl]-2-[(3-fluorophenyl)methyl]pyridazin-3-one;2-[(2-cyclobutyl-1,3-thiazol-5-yl)methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one;2-[(2-ethyl-1,3-thiazol-5-yl)methyl]-6-[2-(2-methylpropoxy)pyrimidin-5-yl]pyridazin-3-one;6-[2-(2-fluoro-2-methylpropoxy)pyrimidin-5-yl]-2-[(3-fluorophenyl)methyl]pyridazin-3-one;2-[(3-fluorophenyl)methyl]-6-[2-(2-methoxy-2-methylpropoxy)pyrimidin-5-yl]pyridazin-3-one;2-[(3-fluorophenyl)methyl]-6-[2-(2-methylsulfanylpropoxy)pyrimidin-5-yl]pyridazin-3-one;2-[(3-methoxyphenyl)methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one?
The canonical SMILES for 6-[2-[(2R)-butan-2-yl]oxypyrimidin-5-yl]-2-[(3-fluorophenyl)methyl]pyridazin-3-one;6-[2-(cyclobutylmethoxy)pyrimidin-5-yl]-2-[(3-fluorophenyl)methyl]pyridazin-3-one;2-[(2-cyclobutyl-1,3-thiazol-5-yl)methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one;2-[(2-ethyl-1,3-thiazol-5-yl)methyl]-6-[2-(2-methylpropoxy)pyrimidin-5-yl]pyridazin-3-one;6-[2-(2-fluoro-2-methylpropoxy)pyrimidin-5-yl]-2-[(3-fluorophenyl)methyl]pyridazin-3-one;2-[(3-fluorophenyl)methyl]-6-[2-(2-methoxy-2-methylpropoxy)pyrimidin-5-yl]pyridazin-3-one;2-[(3-fluorophenyl)methyl]-6-[2-(2-methylsulfanylpropoxy)pyrimidin-5-yl]pyridazin-3-one;2-[(3-methoxyphenyl)methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one is CC(C)(F)COc1ncc(-c2ccc(=O)n(Cc3cccc(F)c3)n2)cn1.CC[C@@H](C)Oc1ncc(-c2ccc(=O)n(Cc3cccc(F)c3)n2)cn1.CCc1ncc(Cn2nc(-c3cnc(OCC(C)C)nc3)ccc2=O)s1.COC(C)(C)COc1ncc(-c2ccc(=O)n(Cc3cccc(F)c3)n2)cn1.COc1cccc(Cn2nc(-c3cnc(OCC(F)(F)F)nc3)ccc2=O)c1.CSC(C)COc1ncc(-c2ccc(=O)n(Cc3cccc(F)c3)n2)cn1.O=c1ccc(-c2cnc(OCC(F)(F)F)nc2)nn1Cc1cnc(C2CCC2)s1.O=c1ccc(-c2cnc(OCC3CCC3)nc2)nn1Cc1cccc(F)c1.
What is the InChIKey of 6-[2-[(2R)-butan-2-yl]oxypyrimidin-5-yl]-2-[(3-fluorophenyl)methyl]pyridazin-3-one;6-[2-(cyclobutylmethoxy)pyrimidin-5-yl]-2-[(3-fluorophenyl)methyl]pyridazin-3-one;2-[(2-cyclobutyl-1,3-thiazol-5-yl)methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one;2-[(2-ethyl-1,3-thiazol-5-yl)methyl]-6-[2-(2-methylpropoxy)pyrimidin-5-yl]pyridazin-3-one;6-[2-(2-fluoro-2-methylpropoxy)pyrimidin-5-yl]-2-[(3-fluorophenyl)methyl]pyridazin-3-one;2-[(3-fluorophenyl)methyl]-6-[2-(2-methoxy-2-methylpropoxy)pyrimidin-5-yl]pyridazin-3-one;2-[(3-fluorophenyl)methyl]-6-[2-(2-methylsulfanylpropoxy)pyrimidin-5-yl]pyridazin-3-one;2-[(3-methoxyphenyl)methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one?
The InChIKey is LAJURQFKUVLHHH-AQVBBNGLSA-N. The full InChI is InChI=1S/C20H21FN4O3.C20H19FN4O2.C19H18F2N4O2.C19H19FN4O2S.C19H19FN4O2.C18H16F3N5O2S.C18H15F3N4O3.C18H21N5O2S/c1-20(2,27-3)13-28-19-22-10-15(11-23-19)17-7-8-18(26)25(24-17)12-14-5-4-6-16(21)9-14;21-17-6-2-5-15(9-17)12-25-19(26)8-7-18(24-25)16-10-22-20(23-11-16)27-13-14-3-1-4-14;1-19(2,21)12-27-18-22-9-14(10-23-18)16-6-7-17(26)25(24-16)11-13-4-3-5-15(20)8-13;1-13(27-2)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;1-3-13(2)26-19-21-10-15(11-22-19)17-7-8-18(25)24(23-17)12-14-5-4-6-16(20)9-14;19-18(20,21)10-28-17-23-6-12(7-24-17)14-4-5-15(27)26(25-14)9-13-8-22-16(29-13)11-2-1-3-11;1-27-14-4-2-3-12(7-14)10-25-16(26)6-5-15(24-25)13-8-22-17(23-9-13)28-11-18(19,20)21;1-4-16-19-9-14(26-16)10-23-17(24)6-5-15(22-23)13-7-20-18(21-8-13)25-11-12(2)3/h4-11H,12-13H2,1-3H3;2,5-11,14H,1,3-4,12-13H2;3-10H,11-12H2,1-2H3;3-10,13H,11-12H2,1-2H3;4-11,13H,3,12H2,1-2H3;4-8,11H,1-3,9-10H2;2-9H,10-11H2,1H3;5-9,12H,4,10-11H2,1-3H3/t;;;;13-;;;/m....1.../s1.
What are the key properties of 6-[2-[(2R)-butan-2-yl]oxypyrimidin-5-yl]-2-[(3-fluorophenyl)methyl]pyridazin-3-one;6-[2-(cyclobutylmethoxy)pyrimidin-5-yl]-2-[(3-fluorophenyl)methyl]pyridazin-3-one;2-[(2-cyclobutyl-1,3-thiazol-5-yl)methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one;2-[(2-ethyl-1,3-thiazol-5-yl)methyl]-6-[2-(2-methylpropoxy)pyrimidin-5-yl]pyridazin-3-one;6-[2-(2-fluoro-2-methylpropoxy)pyrimidin-5-yl]-2-[(3-fluorophenyl)methyl]pyridazin-3-one;2-[(3-fluorophenyl)methyl]-6-[2-(2-methoxy-2-methylpropoxy)pyrimidin-5-yl]pyridazin-3-one;2-[(3-fluorophenyl)methyl]-6-[2-(2-methylsulfanylpropoxy)pyrimidin-5-yl]pyridazin-3-one;2-[(3-methoxyphenyl)methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one?
6-[2-[(2R)-butan-2-yl]oxypyrimidin-5-yl]-2-[(3-fluorophenyl)methyl]pyridazin-3-one;6-[2-(cyclobutylmethoxy)pyrimidin-5-yl]-2-[(3-fluorophenyl)methyl]pyridazin-3-one;2-[(2-cyclobutyl-1,3-thiazol-5-yl)methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one;2-[(2-ethyl-1,3-thiazol-5-yl)methyl]-6-[2-(2-methylpropoxy)pyrimidin-5-yl]pyridazin-3-one;6-[2-(2-fluoro-2-methylpropoxy)pyrimidin-5-yl]-2-[(3-fluorophenyl)methyl]pyridazin-3-one;2-[(3-fluorophenyl)methyl]-6-[2-(2-methoxy-2-methylpropoxy)pyrimidin-5-yl]pyridazin-3-one;2-[(3-fluorophenyl)methyl]-6-[2-(2-methylsulfanylpropoxy)pyrimidin-5-yl]pyridazin-3-one;2-[(3-methoxyphenyl)methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one has a molecular weight of 3051.24 g/mol, XLogP of 23.77, 51 rotatable bonds, 0 hydrogen bond donors, and 55 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[(2R)-butan-2-yl]oxypyrimidin-5-yl]-2-[(3-fluorophenyl)methyl]pyridazin-3-one;6-[2-(cyclobutylmethoxy)pyrimidin-5-yl]-2-[(3-fluorophenyl)methyl]pyridazin-3-one;2-[(2-cyclobutyl-1,3-thiazol-5-yl)methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one;2-[(2-ethyl-1,3-thiazol-5-yl)methyl]-6-[2-(2-methylpropoxy)pyrimidin-5-yl]pyridazin-3-one;6-[2-(2-fluoro-2-methylpropoxy)pyrimidin-5-yl]-2-[(3-fluorophenyl)methyl]pyridazin-3-one;2-[(3-fluorophenyl)methyl]-6-[2-(2-methoxy-2-methylpropoxy)pyrimidin-5-yl]pyridazin-3-one;2-[(3-fluorophenyl)methyl]-6-[2-(2-methylsulfanylpropoxy)pyrimidin-5-yl]pyridazin-3-one;2-[(3-methoxyphenyl)methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one is sourced from PubChem (CID 159293239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).