4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;N-[4-[[3-(2-aminopyrimidin-4-yl)-2-pyridinyl]oxy]phenyl]-4-(4-methylthiophen-2-yl)phthalazin-1-amine;N-[2-[(1S)-1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-1,3-dioxoisoindol-4-yl]acetamide;6-fluoro-2-[4-(methylaminomethyl)phenyl]-10-azatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraen-9-one;7-methoxy-4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline

C105H92FN19O15S2 — CID 159740032

About 4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;N-[4-[[3-(2-aminopyrimidin-4-yl)-2-pyridinyl]oxy]phenyl]-4-(4-methylthiophen-2-yl)phthalazin-1-amine;N-[2-[(1S)-1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-1,3-dioxoisoindol-4-yl]acetamide;6-fluoro-2-[4-(methylaminomethyl)phenyl]-10-azatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraen-9-one;7-methoxy-4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline

4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;N-[4-[[3-(2-aminopyrimidin-4-yl)-2-pyridinyl]oxy]phenyl]-4-(4-methylthiophen-2-yl)phthalazin-1-amine;N-[2-[(1S)-1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-1,3-dioxoisoindol-4-yl]acetamide;6-fluoro-2-[4-(methylaminomethyl)phenyl]-10-azatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraen-9-one;7-methoxy-4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline (PubChem CID 159740032) has the molecular formula C105H92FN19O15S2 and a molecular weight of 1943.14 g/mol. Its IUPAC name is 4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;N-[4-[[3-(2-aminopyrimidin-4-yl)-2-pyridinyl]oxy]phenyl]-4-(4-methylthiophen-2-yl)phthalazin-1-amine;N-[2-[(1S)-1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-1,3-dioxoisoindol-4-yl]acetamide;6-fluoro-2-[4-(methylaminomethyl)phenyl]-10-azatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraen-9-one;7-methoxy-4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline.

Molecular Properties

• Compound Name: 4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;N-[4-[[3-(2-aminopyrimidin-4-yl)-2-pyridinyl]oxy]phenyl]-4-(4-methylthiophen-2-yl)phthalazin-1-amine;N-[2-[(1S)-1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-1,3-dioxoisoindol-4-yl]acetamide;6-fluoro-2-[4-(methylaminomethyl)phenyl]-10-azatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraen-9-one;7-methoxy-4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline
• PubChem CID: 159740032
• Molecular Formula: C105H92FN19O15S2
• Molecular Weight: 1943.14 g/mol
• Exact Mass: 1941.64
• IUPAC Name: 4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;N-[4-[[3-(2-aminopyrimidin-4-yl)-2-pyridinyl]oxy]phenyl]-4-(4-methylthiophen-2-yl)phthalazin-1-amine;N-[2-[(1S)-1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-1,3-dioxoisoindol-4-yl]acetamide;6-fluoro-2-[4-(methylaminomethyl)phenyl]-10-azatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraen-9-one;7-methoxy-4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline
• SMILES: CCOc1cc([C@@H](CS(C)(=O)=O)N2C(=O)c3cccc(NC(C)=O)c3C2=O)ccc1OC.CNCc1ccc(C2=C3CCNC(=O)c4cc(F)cc(c43)C2)cc1.COc1ccc2c(OCc3nnc4ccc(-c5ccccc5)nn34)ccnc2c1.Cc1csc(-c2nnc(Nc3ccc(Oc4ncccc4-c4ccnc(N)n4)cc3)c3ccccc23)c1.Nc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O
• InChI: InChI=1S/C28H21N7OS.C22H17N5O2.C22H24N2O7S.C20H19FN2O.C13H11N3O4/c1-17-15-24(37-16-17)25-20-5-2-3-6-21(20)26(35-34-25)32-18-8-10-19(11-9-18)36-27-22(7-4-13-30-27)23-12-14-31-28(29)33-23;1-28-16-7-8-17-19(13-16)23-12-11-20(17)29-14-22-25-24-21-10-9-18(26-27(21)22)15-5-3-2-4-6-15;1-5-31-19-11-14(9-10-18(19)30-3)17(12-32(4,28)29)24-21(26)15-7-6-8-16(23-13(2)25)20(15)22(24)27;1-22-11-12-2-4-13(5-3-12)17-9-14-8-15(21)10-18-19(14)16(17)6-7-23-20(18)24;14-7-3-1-2-6-10(7)13(20)16(12(6)19)8-4-5-9(17)15-11(8)18/h2-16H,1H3,(H,32,35)(H2,29,31,33);2-13H,14H2,1H3;6-11,17H,5,12H2,1-4H3,(H,23,25);2-5,8,10,22H,6-7,9,11H2,1H3,(H,23,24);1-3,8H,4-5,14H2,(H,15,17,18)/t;;17-;;/m..1../s1
• InChIKey: NCIKDVKARBYONO-GYNAYGTNSA-N
• XLogP: 15.81
• TPSA: 455.94 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 30
• Rotatable Bonds: 23
• Heavy Atoms: 142
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1943.14
LogP ≤ 5	15.81
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;N-[4-[[3-(2-aminopyrimidin-4-yl)-2-pyridinyl]oxy]phenyl]-4-(4-methylthiophen-2-yl)phthalazin-1-amine;N-[2-[(1S)-1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-1,3-dioxoisoindol-4-yl]acetamide;6-fluoro-2-[4-(methylaminomethyl)phenyl]-10-azatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraen-9-one;7-methoxy-4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline?

The IUPAC name of 4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;N-[4-[[3-(2-aminopyrimidin-4-yl)-2-pyridinyl]oxy]phenyl]-4-(4-methylthiophen-2-yl)phthalazin-1-amine;N-[2-[(1S)-1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-1,3-dioxoisoindol-4-yl]acetamide;6-fluoro-2-[4-(methylaminomethyl)phenyl]-10-azatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraen-9-one;7-methoxy-4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline (CID 159740032) is 4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;N-[4-[[3-(2-aminopyrimidin-4-yl)-2-pyridinyl]oxy]phenyl]-4-(4-methylthiophen-2-yl)phthalazin-1-amine;N-[2-[(1S)-1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-1,3-dioxoisoindol-4-yl]acetamide;6-fluoro-2-[4-(methylaminomethyl)phenyl]-10-azatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraen-9-one;7-methoxy-4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline.

What is the SMILES notation for 4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;N-[4-[[3-(2-aminopyrimidin-4-yl)-2-pyridinyl]oxy]phenyl]-4-(4-methylthiophen-2-yl)phthalazin-1-amine;N-[2-[(1S)-1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-1,3-dioxoisoindol-4-yl]acetamide;6-fluoro-2-[4-(methylaminomethyl)phenyl]-10-azatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraen-9-one;7-methoxy-4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline?

The canonical SMILES for 4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;N-[4-[[3-(2-aminopyrimidin-4-yl)-2-pyridinyl]oxy]phenyl]-4-(4-methylthiophen-2-yl)phthalazin-1-amine;N-[2-[(1S)-1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-1,3-dioxoisoindol-4-yl]acetamide;6-fluoro-2-[4-(methylaminomethyl)phenyl]-10-azatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraen-9-one;7-methoxy-4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline is CCOc1cc([C@@H](CS(C)(=O)=O)N2C(=O)c3cccc(NC(C)=O)c3C2=O)ccc1OC.CNCc1ccc(C2=C3CCNC(=O)c4cc(F)cc(c43)C2)cc1.COc1ccc2c(OCc3nnc4ccc(-c5ccccc5)nn34)ccnc2c1.Cc1csc(-c2nnc(Nc3ccc(Oc4ncccc4-c4ccnc(N)n4)cc3)c3ccccc23)c1.Nc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O.

What is the InChIKey of 4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;N-[4-[[3-(2-aminopyrimidin-4-yl)-2-pyridinyl]oxy]phenyl]-4-(4-methylthiophen-2-yl)phthalazin-1-amine;N-[2-[(1S)-1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-1,3-dioxoisoindol-4-yl]acetamide;6-fluoro-2-[4-(methylaminomethyl)phenyl]-10-azatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraen-9-one;7-methoxy-4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline?

The InChIKey is NCIKDVKARBYONO-GYNAYGTNSA-N. The full InChI is InChI=1S/C28H21N7OS.C22H17N5O2.C22H24N2O7S.C20H19FN2O.C13H11N3O4/c1-17-15-24(37-16-17)25-20-5-2-3-6-21(20)26(35-34-25)32-18-8-10-19(11-9-18)36-27-22(7-4-13-30-27)23-12-14-31-28(29)33-23;1-28-16-7-8-17-19(13-16)23-12-11-20(17)29-14-22-25-24-21-10-9-18(26-27(21)22)15-5-3-2-4-6-15;1-5-31-19-11-14(9-10-18(19)30-3)17(12-32(4,28)29)24-21(26)15-7-6-8-16(23-13(2)25)20(15)22(24)27;1-22-11-12-2-4-13(5-3-12)17-9-14-8-15(21)10-18-19(14)16(17)6-7-23-20(18)24;14-7-3-1-2-6-10(7)13(20)16(12(6)19)8-4-5-9(17)15-11(8)18/h2-16H,1H3,(H,32,35)(H2,29,31,33);2-13H,14H2,1H3;6-11,17H,5,12H2,1-4H3,(H,23,25);2-5,8,10,22H,6-7,9,11H2,1H3,(H,23,24);1-3,8H,4-5,14H2,(H,15,17,18)/t;;17-;;/m..1../s1.

What are the key properties of 4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;N-[4-[[3-(2-aminopyrimidin-4-yl)-2-pyridinyl]oxy]phenyl]-4-(4-methylthiophen-2-yl)phthalazin-1-amine;N-[2-[(1S)-1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-1,3-dioxoisoindol-4-yl]acetamide;6-fluoro-2-[4-(methylaminomethyl)phenyl]-10-azatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraen-9-one;7-methoxy-4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline?

4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;N-[4-[[3-(2-aminopyrimidin-4-yl)-2-pyridinyl]oxy]phenyl]-4-(4-methylthiophen-2-yl)phthalazin-1-amine;N-[2-[(1S)-1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-1,3-dioxoisoindol-4-yl]acetamide;6-fluoro-2-[4-(methylaminomethyl)phenyl]-10-azatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraen-9-one;7-methoxy-4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline has a molecular weight of 1943.14 g/mol, XLogP of 15.81, 23 rotatable bonds, 7 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;N-[4-[[3-(2-aminopyrimidin-4-yl)-2-pyridinyl]oxy]phenyl]-4-(4-methylthiophen-2-yl)phthalazin-1-amine;N-[2-[(1S)-1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-1,3-dioxoisoindol-4-yl]acetamide;6-fluoro-2-[4-(methylaminomethyl)phenyl]-10-azatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraen-9-one;7-methoxy-4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline is sourced from PubChem (CID 159740032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).