2-[(5-fluoro-6-methyl-3-pyridinyl)methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one;2-[(3-fluorophenyl)methyl]-6-[2-[methyl(2,2,2-trifluoroethyl)amino]pyrimidin-5-yl]pyridazin-3-one;2-(furan-2-ylmethyl)-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one;3-[[6-oxo-3-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-1-yl]methyl]benzonitrile

C68H51F14N19O8 — CID 161294986

About 2-[(5-fluoro-6-methyl-3-pyridinyl)methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one;2-[(3-fluorophenyl)methyl]-6-[2-[methyl(2,2,2-trifluoroethyl)amino]pyrimidin-5-yl]pyridazin-3-one;2-(furan-2-ylmethyl)-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one;3-[[6-oxo-3-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-1-yl]methyl]benzonitrile

2-[(5-fluoro-6-methyl-3-pyridinyl)methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one;2-[(3-fluorophenyl)methyl]-6-[2-[methyl(2,2,2-trifluoroethyl)amino]pyrimidin-5-yl]pyridazin-3-one;2-(furan-2-ylmethyl)-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one;3-[[6-oxo-3-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-1-yl]methyl]benzonitrile (PubChem CID 161294986) has the molecular formula C68H51F14N19O8 and a molecular weight of 1528.25 g/mol. Its IUPAC name is 2-[(5-fluoro-6-methyl-3-pyridinyl)methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one;2-[(3-fluorophenyl)methyl]-6-[2-[methyl(2,2,2-trifluoroethyl)amino]pyrimidin-5-yl]pyridazin-3-one;2-(furan-2-ylmethyl)-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one;3-[[6-oxo-3-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-1-yl]methyl]benzonitrile.

Molecular Properties

• Compound Name: 2-[(5-fluoro-6-methyl-3-pyridinyl)methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one;2-[(3-fluorophenyl)methyl]-6-[2-[methyl(2,2,2-trifluoroethyl)amino]pyrimidin-5-yl]pyridazin-3-one;2-(furan-2-ylmethyl)-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one;3-[[6-oxo-3-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-1-yl]methyl]benzonitrile
• PubChem CID: 161294986
• Molecular Formula: C68H51F14N19O8
• Molecular Weight: 1528.25 g/mol
• Exact Mass: 1527.39
• IUPAC Name: 2-[(5-fluoro-6-methyl-3-pyridinyl)methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one;2-[(3-fluorophenyl)methyl]-6-[2-[methyl(2,2,2-trifluoroethyl)amino]pyrimidin-5-yl]pyridazin-3-one;2-(furan-2-ylmethyl)-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one;3-[[6-oxo-3-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-1-yl]methyl]benzonitrile
• SMILES: CN(CC(F)(F)F)c1ncc(-c2ccc(=O)n(Cc3cccc(F)c3)n2)cn1.Cc1ncc(Cn2nc(-c3cnc(OCC(F)(F)F)nc3)ccc2=O)cc1F.N#Cc1cccc(Cn2nc(-c3cnc(OCC(F)(F)F)nc3)ccc2=O)c1.O=c1ccc(-c2cnc(OCC(F)(F)F)nc2)nn1Cc1ccco1
• InChI: InChI=1S/C18H15F4N5O.C18H12F3N5O2.C17H13F4N5O2.C15H11F3N4O3/c1-26(11-18(20,21)22)17-23-8-13(9-24-17)15-5-6-16(28)27(25-15)10-12-3-2-4-14(19)7-12;19-18(20,21)11-28-17-23-8-14(9-24-17)15-4-5-16(27)26(25-15)10-13-3-1-2-12(6-13)7-22;1-10-13(18)4-11(5-22-10)8-26-15(27)3-2-14(25-26)12-6-23-16(24-7-12)28-9-17(19,20)21;16-15(17,18)9-25-14-19-6-10(7-20-14)12-3-4-13(23)22(21-12)8-11-2-1-5-24-11/h2-9H,10-11H2,1H3;1-6,8-9H,10-11H2;2-7H,8-9H2,1H3;1-7H,8-9H2
• InChIKey: VGVXLCZWRVNHAV-UHFFFAOYSA-N
• XLogP: 10.26
• TPSA: 323.43 Ų
• H-Bond Acceptors: 27
• Rotatable Bonds: 20
• Heavy Atoms: 109
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1528.25
LogP ≤ 5	10.26
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	27

Frequently Asked Questions

What is the IUPAC name of 2-[(5-fluoro-6-methyl-3-pyridinyl)methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one;2-[(3-fluorophenyl)methyl]-6-[2-[methyl(2,2,2-trifluoroethyl)amino]pyrimidin-5-yl]pyridazin-3-one;2-(furan-2-ylmethyl)-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one;3-[[6-oxo-3-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-1-yl]methyl]benzonitrile?

The IUPAC name of 2-[(5-fluoro-6-methyl-3-pyridinyl)methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one;2-[(3-fluorophenyl)methyl]-6-[2-[methyl(2,2,2-trifluoroethyl)amino]pyrimidin-5-yl]pyridazin-3-one;2-(furan-2-ylmethyl)-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one;3-[[6-oxo-3-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-1-yl]methyl]benzonitrile (CID 161294986) is 2-[(5-fluoro-6-methyl-3-pyridinyl)methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one;2-[(3-fluorophenyl)methyl]-6-[2-[methyl(2,2,2-trifluoroethyl)amino]pyrimidin-5-yl]pyridazin-3-one;2-(furan-2-ylmethyl)-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one;3-[[6-oxo-3-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-1-yl]methyl]benzonitrile.

What is the SMILES notation for 2-[(5-fluoro-6-methyl-3-pyridinyl)methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one;2-[(3-fluorophenyl)methyl]-6-[2-[methyl(2,2,2-trifluoroethyl)amino]pyrimidin-5-yl]pyridazin-3-one;2-(furan-2-ylmethyl)-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one;3-[[6-oxo-3-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-1-yl]methyl]benzonitrile?

The canonical SMILES for 2-[(5-fluoro-6-methyl-3-pyridinyl)methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one;2-[(3-fluorophenyl)methyl]-6-[2-[methyl(2,2,2-trifluoroethyl)amino]pyrimidin-5-yl]pyridazin-3-one;2-(furan-2-ylmethyl)-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one;3-[[6-oxo-3-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-1-yl]methyl]benzonitrile is CN(CC(F)(F)F)c1ncc(-c2ccc(=O)n(Cc3cccc(F)c3)n2)cn1.Cc1ncc(Cn2nc(-c3cnc(OCC(F)(F)F)nc3)ccc2=O)cc1F.N#Cc1cccc(Cn2nc(-c3cnc(OCC(F)(F)F)nc3)ccc2=O)c1.O=c1ccc(-c2cnc(OCC(F)(F)F)nc2)nn1Cc1ccco1.

What is the InChIKey of 2-[(5-fluoro-6-methyl-3-pyridinyl)methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one;2-[(3-fluorophenyl)methyl]-6-[2-[methyl(2,2,2-trifluoroethyl)amino]pyrimidin-5-yl]pyridazin-3-one;2-(furan-2-ylmethyl)-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one;3-[[6-oxo-3-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-1-yl]methyl]benzonitrile?

The InChIKey is VGVXLCZWRVNHAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F4N5O.C18H12F3N5O2.C17H13F4N5O2.C15H11F3N4O3/c1-26(11-18(20,21)22)17-23-8-13(9-24-17)15-5-6-16(28)27(25-15)10-12-3-2-4-14(19)7-12;19-18(20,21)11-28-17-23-8-14(9-24-17)15-4-5-16(27)26(25-15)10-13-3-1-2-12(6-13)7-22;1-10-13(18)4-11(5-22-10)8-26-15(27)3-2-14(25-26)12-6-23-16(24-7-12)28-9-17(19,20)21;16-15(17,18)9-25-14-19-6-10(7-20-14)12-3-4-13(23)22(21-12)8-11-2-1-5-24-11/h2-9H,10-11H2,1H3;1-6,8-9H,10-11H2;2-7H,8-9H2,1H3;1-7H,8-9H2.

What are the key properties of 2-[(5-fluoro-6-methyl-3-pyridinyl)methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one;2-[(3-fluorophenyl)methyl]-6-[2-[methyl(2,2,2-trifluoroethyl)amino]pyrimidin-5-yl]pyridazin-3-one;2-(furan-2-ylmethyl)-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one;3-[[6-oxo-3-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-1-yl]methyl]benzonitrile?

2-[(5-fluoro-6-methyl-3-pyridinyl)methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one;2-[(3-fluorophenyl)methyl]-6-[2-[methyl(2,2,2-trifluoroethyl)amino]pyrimidin-5-yl]pyridazin-3-one;2-(furan-2-ylmethyl)-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one;3-[[6-oxo-3-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-1-yl]methyl]benzonitrile has a molecular weight of 1528.25 g/mol, XLogP of 10.26, 20 rotatable bonds, 0 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(5-fluoro-6-methyl-3-pyridinyl)methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one;2-[(3-fluorophenyl)methyl]-6-[2-[methyl(2,2,2-trifluoroethyl)amino]pyrimidin-5-yl]pyridazin-3-one;2-(furan-2-ylmethyl)-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one;3-[[6-oxo-3-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-1-yl]methyl]benzonitrile is sourced from PubChem (CID 161294986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).