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

C127H121F13N30O16S2 — CID 162041827

IUPAC6-[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
SMILESCC[C@@H](C)Oc1ncc(-c2ccc(=O)n(Cc3cccc(F)c3)n2)cn1.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.COc1cccc(Cn2nc(-c3cnc(OCC(F)(F)F)nc3)ccc2=O)c1.Cc1ccc(Cn2nc(-c3cnc(OCC(C)C)nc3)ccc2=O)s1.[2H]C(C)(C)COc1ncc(-c2ccc(=O)n(Cc3cccc(F)c3)n2)cn1
InChIInChI=1S/2C19H19FN4O2.C18H16F3N5O2.C18H15F3N4O3.C18H18F2N4O2S.C18H20N4O2S.C17H14F3N5O3/c1-13(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;1-3-13(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;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;1-27-14-4-2-3-12(7-14)10-25-16(26)6-5-15(24-25)13-8-22-17(23-9-13)28-11-18(19,20)21;1-3-13-4-5-14(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/h3-10,13H,11-12H2,1-2H3;4-11,13H,3,12H2,1-2H3;3-9H,2,10-11H2,1H3;2-9H,10-11H2,1H3;4-9H,3,10-11H2,1-2H3;4-9,12H,10-11H2,1-3H3;2-8H,9-10H2,1H3/t;13-;;;;;/m.1...../s1/i13D;;;;;;
InChIKeyYXJNBXOTPSKGGU-BLVKGGIESA-N
MW2635.67 g/mol
LogP19.99
Rot. Bonds43

About 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

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 (PubChem CID 162041827) has the molecular formula C127H121F13N30O16S2 and a molecular weight of 2635.67 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6-[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
PubChem CID162041827
Molecular FormulaC127H121F13N30O16S2
Molecular Weight2635.67 g/mol
Exact Mass2633.89
IUPAC Name6-[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
SMILESCC[C@@H](C)Oc1ncc(-c2ccc(=O)n(Cc3cccc(F)c3)n2)cn1.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.COc1cccc(Cn2nc(-c3cnc(OCC(F)(F)F)nc3)ccc2=O)c1.Cc1ccc(Cn2nc(-c3cnc(OCC(C)C)nc3)ccc2=O)s1.[2H]C(C)(C)COc1ncc(-c2ccc(=O)n(Cc3cccc(F)c3)n2)cn1
InChIInChI=1S/2C19H19FN4O2.C18H16F3N5O2.C18H15F3N4O3.C18H18F2N4O2S.C18H20N4O2S.C17H14F3N5O3/c1-13(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;1-3-13(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;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;1-27-14-4-2-3-12(7-14)10-25-16(26)6-5-15(24-25)13-8-22-17(23-9-13)28-11-18(19,20)21;1-3-13-4-5-14(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/h3-10,13H,11-12H2,1-2H3;4-11,13H,3,12H2,1-2H3;3-9H,2,10-11H2,1H3;2-9H,10-11H2,1H3;4-9H,3,10-11H2,1-2H3;4-9,12H,10-11H2,1-3H3;2-8H,9-10H2,1H3/t;13-;;;;;/m.1...../s1/i13D;;;;;;
InChIKeyYXJNBXOTPSKGGU-BLVKGGIESA-N
XLogP19.99
TPSA533.54 Ų
H-Bond Donors
H-Bond Acceptors48
Rotatable Bonds43
Heavy Atoms188
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002635.67
LogP ≤ 519.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1048

Analyze 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 with MolForge

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Launch Full Analysis

Related Compounds

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-[(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
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

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-(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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC[C@@H](C)Oc1ncc(-c2ccc(=O)n(Cc3cccc(F)c3)n2)cn1.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.COc1cccc(Cn2nc(-c3cnc(OCC(F)(F)F)nc3)ccc2=O)c1.Cc1ccc(Cn2nc(-c3cnc(OCC(C)C)nc3)ccc2=O)s1.[2H]C(C)(C)COc1ncc(-c2ccc(=O)n(Cc3cccc(F)c3)n2)cn1.
What is the InChIKey of 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?
The InChIKey is YXJNBXOTPSKGGU-BLVKGGIESA-N. The full InChI is InChI=1S/2C19H19FN4O2.C18H16F3N5O2.C18H15F3N4O3.C18H18F2N4O2S.C18H20N4O2S.C17H14F3N5O3/c1-13(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;1-3-13(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;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;1-27-14-4-2-3-12(7-14)10-25-16(26)6-5-15(24-25)13-8-22-17(23-9-13)28-11-18(19,20)21;1-3-13-4-5-14(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/h3-10,13H,11-12H2,1-2H3;4-11,13H,3,12H2,1-2H3;3-9H,2,10-11H2,1H3;2-9H,10-11H2,1H3;4-9H,3,10-11H2,1-2H3;4-9,12H,10-11H2,1-3H3;2-8H,9-10H2,1H3/t;13-;;;;;/m.1...../s1/i13D;;;;;;.
What are the key properties of 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?
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 has a molecular weight of 2635.67 g/mol, XLogP of 19.99, 43 rotatable bonds, 0 hydrogen bond donors, and 48 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-(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 is sourced from PubChem (CID 162041827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).