4-(2,3-dimethylphenoxy)-2-(2-fluoro-4-iodoanilino)-1-methyl-6-oxopyridine-3-carboxamide;5-(2,3-dimethylphenoxy)-1-(2-fluoro-4-iodophenyl)-3-[(4-methoxyphenyl)methyl]-8-methylpyrido[2,3-d]pyrimidine-2,4,7-trione;[1-(2-fluoro-4-iodophenyl)-3-[(4-methoxyphenyl)methyl]-8-methyl-2,4,7-trioxopyrido[2,3-d]pyrimidin-5-yl] trifluoromethanesulfonate

C74H60F6I3N9O15S — CID 160668130

About 4-(2,3-dimethylphenoxy)-2-(2-fluoro-4-iodoanilino)-1-methyl-6-oxopyridine-3-carboxamide;5-(2,3-dimethylphenoxy)-1-(2-fluoro-4-iodophenyl)-3-[(4-methoxyphenyl)methyl]-8-methylpyrido[2,3-d]pyrimidine-2,4,7-trione;[1-(2-fluoro-4-iodophenyl)-3-[(4-methoxyphenyl)methyl]-8-methyl-2,4,7-trioxopyrido[2,3-d]pyrimidin-5-yl] trifluoromethanesulfonate

4-(2,3-dimethylphenoxy)-2-(2-fluoro-4-iodoanilino)-1-methyl-6-oxopyridine-3-carboxamide;5-(2,3-dimethylphenoxy)-1-(2-fluoro-4-iodophenyl)-3-[(4-methoxyphenyl)methyl]-8-methylpyrido[2,3-d]pyrimidine-2,4,7-trione;[1-(2-fluoro-4-iodophenyl)-3-[(4-methoxyphenyl)methyl]-8-methyl-2,4,7-trioxopyrido[2,3-d]pyrimidin-5-yl] trifluoromethanesulfonate (PubChem CID 160668130) has the molecular formula C74H60F6I3N9O15S and a molecular weight of 1842.11 g/mol. Its IUPAC name is 4-(2,3-dimethylphenoxy)-2-(2-fluoro-4-iodoanilino)-1-methyl-6-oxopyridine-3-carboxamide;5-(2,3-dimethylphenoxy)-1-(2-fluoro-4-iodophenyl)-3-[(4-methoxyphenyl)methyl]-8-methylpyrido[2,3-d]pyrimidine-2,4,7-trione;[1-(2-fluoro-4-iodophenyl)-3-[(4-methoxyphenyl)methyl]-8-methyl-2,4,7-trioxopyrido[2,3-d]pyrimidin-5-yl] trifluoromethanesulfonate.

Molecular Properties

• Compound Name: 4-(2,3-dimethylphenoxy)-2-(2-fluoro-4-iodoanilino)-1-methyl-6-oxopyridine-3-carboxamide;5-(2,3-dimethylphenoxy)-1-(2-fluoro-4-iodophenyl)-3-[(4-methoxyphenyl)methyl]-8-methylpyrido[2,3-d]pyrimidine-2,4,7-trione;[1-(2-fluoro-4-iodophenyl)-3-[(4-methoxyphenyl)methyl]-8-methyl-2,4,7-trioxopyrido[2,3-d]pyrimidin-5-yl] trifluoromethanesulfonate
• PubChem CID: 160668130
• Molecular Formula: C74H60F6I3N9O15S
• Molecular Weight: 1842.11 g/mol
• Exact Mass: 1841.10
• IUPAC Name: 4-(2,3-dimethylphenoxy)-2-(2-fluoro-4-iodoanilino)-1-methyl-6-oxopyridine-3-carboxamide;5-(2,3-dimethylphenoxy)-1-(2-fluoro-4-iodophenyl)-3-[(4-methoxyphenyl)methyl]-8-methylpyrido[2,3-d]pyrimidine-2,4,7-trione;[1-(2-fluoro-4-iodophenyl)-3-[(4-methoxyphenyl)methyl]-8-methyl-2,4,7-trioxopyrido[2,3-d]pyrimidin-5-yl] trifluoromethanesulfonate
• SMILES: COc1ccc(Cn2c(=O)c3c(OS(=O)(=O)C(F)(F)F)cc(=O)n(C)c3n(-c3ccc(I)cc3F)c2=O)cc1.COc1ccc(Cn2c(=O)c3c(Oc4cccc(C)c4C)cc(=O)n(C)c3n(-c3ccc(I)cc3F)c2=O)cc1.Cc1cccc(Oc2cc(=O)n(C)c(Nc3ccc(I)cc3F)c2C(N)=O)c1C
• InChI: InChI=1S/C30H25FIN3O5.C23H16F4IN3O7S.C21H19FIN3O3/c1-17-6-5-7-24(18(17)2)40-25-15-26(36)33(3)28-27(25)29(37)34(16-19-8-11-21(39-4)12-9-19)30(38)35(28)23-13-10-20(32)14-22(23)31;1-29-18(32)10-17(38-39(35,36)23(25,26)27)19-20(29)31(16-8-5-13(28)9-15(16)24)22(34)30(21(19)33)11-12-3-6-14(37-2)7-4-12;1-11-5-4-6-16(12(11)2)29-17-10-18(27)26(3)21(19(17)20(24)28)25-15-8-7-13(23)9-14(15)22/h5-15H,16H2,1-4H3;3-10H,11H2,1-2H3;4-10,25H,1-3H3,(H2,24,28)
• InChIKey: RMORXXCTPQLOIX-UHFFFAOYSA-N
• XLogP: 12.32
• TPSA: 289.41 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 23
• Rotatable Bonds: 17
• Heavy Atoms: 108
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1842.11
LogP ≤ 5	12.32
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}, {'alert_name': 'triflate', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dimethylphenoxy)-2-(2-fluoro-4-iodoanilino)-1-methyl-6-oxopyridine-3-carboxamide;5-(2,3-dimethylphenoxy)-1-(2-fluoro-4-iodophenyl)-3-[(4-methoxyphenyl)methyl]-8-methylpyrido[2,3-d]pyrimidine-2,4,7-trione;[1-(2-fluoro-4-iodophenyl)-3-[(4-methoxyphenyl)methyl]-8-methyl-2,4,7-trioxopyrido[2,3-d]pyrimidin-5-yl] trifluoromethanesulfonate?

The IUPAC name of 4-(2,3-dimethylphenoxy)-2-(2-fluoro-4-iodoanilino)-1-methyl-6-oxopyridine-3-carboxamide;5-(2,3-dimethylphenoxy)-1-(2-fluoro-4-iodophenyl)-3-[(4-methoxyphenyl)methyl]-8-methylpyrido[2,3-d]pyrimidine-2,4,7-trione;[1-(2-fluoro-4-iodophenyl)-3-[(4-methoxyphenyl)methyl]-8-methyl-2,4,7-trioxopyrido[2,3-d]pyrimidin-5-yl] trifluoromethanesulfonate (CID 160668130) is 4-(2,3-dimethylphenoxy)-2-(2-fluoro-4-iodoanilino)-1-methyl-6-oxopyridine-3-carboxamide;5-(2,3-dimethylphenoxy)-1-(2-fluoro-4-iodophenyl)-3-[(4-methoxyphenyl)methyl]-8-methylpyrido[2,3-d]pyrimidine-2,4,7-trione;[1-(2-fluoro-4-iodophenyl)-3-[(4-methoxyphenyl)methyl]-8-methyl-2,4,7-trioxopyrido[2,3-d]pyrimidin-5-yl] trifluoromethanesulfonate.

What is the SMILES notation for 4-(2,3-dimethylphenoxy)-2-(2-fluoro-4-iodoanilino)-1-methyl-6-oxopyridine-3-carboxamide;5-(2,3-dimethylphenoxy)-1-(2-fluoro-4-iodophenyl)-3-[(4-methoxyphenyl)methyl]-8-methylpyrido[2,3-d]pyrimidine-2,4,7-trione;[1-(2-fluoro-4-iodophenyl)-3-[(4-methoxyphenyl)methyl]-8-methyl-2,4,7-trioxopyrido[2,3-d]pyrimidin-5-yl] trifluoromethanesulfonate?

The canonical SMILES for 4-(2,3-dimethylphenoxy)-2-(2-fluoro-4-iodoanilino)-1-methyl-6-oxopyridine-3-carboxamide;5-(2,3-dimethylphenoxy)-1-(2-fluoro-4-iodophenyl)-3-[(4-methoxyphenyl)methyl]-8-methylpyrido[2,3-d]pyrimidine-2,4,7-trione;[1-(2-fluoro-4-iodophenyl)-3-[(4-methoxyphenyl)methyl]-8-methyl-2,4,7-trioxopyrido[2,3-d]pyrimidin-5-yl] trifluoromethanesulfonate is COc1ccc(Cn2c(=O)c3c(OS(=O)(=O)C(F)(F)F)cc(=O)n(C)c3n(-c3ccc(I)cc3F)c2=O)cc1.COc1ccc(Cn2c(=O)c3c(Oc4cccc(C)c4C)cc(=O)n(C)c3n(-c3ccc(I)cc3F)c2=O)cc1.Cc1cccc(Oc2cc(=O)n(C)c(Nc3ccc(I)cc3F)c2C(N)=O)c1C.

What is the InChIKey of 4-(2,3-dimethylphenoxy)-2-(2-fluoro-4-iodoanilino)-1-methyl-6-oxopyridine-3-carboxamide;5-(2,3-dimethylphenoxy)-1-(2-fluoro-4-iodophenyl)-3-[(4-methoxyphenyl)methyl]-8-methylpyrido[2,3-d]pyrimidine-2,4,7-trione;[1-(2-fluoro-4-iodophenyl)-3-[(4-methoxyphenyl)methyl]-8-methyl-2,4,7-trioxopyrido[2,3-d]pyrimidin-5-yl] trifluoromethanesulfonate?

The InChIKey is RMORXXCTPQLOIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25FIN3O5.C23H16F4IN3O7S.C21H19FIN3O3/c1-17-6-5-7-24(18(17)2)40-25-15-26(36)33(3)28-27(25)29(37)34(16-19-8-11-21(39-4)12-9-19)30(38)35(28)23-13-10-20(32)14-22(23)31;1-29-18(32)10-17(38-39(35,36)23(25,26)27)19-20(29)31(16-8-5-13(28)9-15(16)24)22(34)30(21(19)33)11-12-3-6-14(37-2)7-4-12;1-11-5-4-6-16(12(11)2)29-17-10-18(27)26(3)21(19(17)20(24)28)25-15-8-7-13(23)9-14(15)22/h5-15H,16H2,1-4H3;3-10H,11H2,1-2H3;4-10,25H,1-3H3,(H2,24,28).

What are the key properties of 4-(2,3-dimethylphenoxy)-2-(2-fluoro-4-iodoanilino)-1-methyl-6-oxopyridine-3-carboxamide;5-(2,3-dimethylphenoxy)-1-(2-fluoro-4-iodophenyl)-3-[(4-methoxyphenyl)methyl]-8-methylpyrido[2,3-d]pyrimidine-2,4,7-trione;[1-(2-fluoro-4-iodophenyl)-3-[(4-methoxyphenyl)methyl]-8-methyl-2,4,7-trioxopyrido[2,3-d]pyrimidin-5-yl] trifluoromethanesulfonate?

4-(2,3-dimethylphenoxy)-2-(2-fluoro-4-iodoanilino)-1-methyl-6-oxopyridine-3-carboxamide;5-(2,3-dimethylphenoxy)-1-(2-fluoro-4-iodophenyl)-3-[(4-methoxyphenyl)methyl]-8-methylpyrido[2,3-d]pyrimidine-2,4,7-trione;[1-(2-fluoro-4-iodophenyl)-3-[(4-methoxyphenyl)methyl]-8-methyl-2,4,7-trioxopyrido[2,3-d]pyrimidin-5-yl] trifluoromethanesulfonate has a molecular weight of 1842.11 g/mol, XLogP of 12.32, 17 rotatable bonds, 2 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(2,3-dimethylphenoxy)-2-(2-fluoro-4-iodoanilino)-1-methyl-6-oxopyridine-3-carboxamide;5-(2,3-dimethylphenoxy)-1-(2-fluoro-4-iodophenyl)-3-[(4-methoxyphenyl)methyl]-8-methylpyrido[2,3-d]pyrimidine-2,4,7-trione;[1-(2-fluoro-4-iodophenyl)-3-[(4-methoxyphenyl)methyl]-8-methyl-2,4,7-trioxopyrido[2,3-d]pyrimidin-5-yl] trifluoromethanesulfonate is sourced from PubChem (CID 160668130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).