3-(2-ethyl-7-methylpyrido[2,3-d]pyrimidin-6-yl)-4-methylaniline;N-[3-(2-ethyl-7-methylpyrido[2,3-d]pyrimidin-6-yl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;(2-ethyl-7-methylpyrido[2,3-d]pyrimidin-6-yl) trifluoromethanesulfonate;4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline;2-(trifluoromethyl)pyridine-4-carboxylic acid

C72H72BF9N14O8S — CID 159400850

About 3-(2-ethyl-7-methylpyrido[2,3-d]pyrimidin-6-yl)-4-methylaniline;N-[3-(2-ethyl-7-methylpyrido[2,3-d]pyrimidin-6-yl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;(2-ethyl-7-methylpyrido[2,3-d]pyrimidin-6-yl) trifluoromethanesulfonate;4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline;2-(trifluoromethyl)pyridine-4-carboxylic acid

3-(2-ethyl-7-methylpyrido[2,3-d]pyrimidin-6-yl)-4-methylaniline;N-[3-(2-ethyl-7-methylpyrido[2,3-d]pyrimidin-6-yl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;(2-ethyl-7-methylpyrido[2,3-d]pyrimidin-6-yl) trifluoromethanesulfonate;4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline;2-(trifluoromethyl)pyridine-4-carboxylic acid (PubChem CID 159400850) has the molecular formula C72H72BF9N14O8S and a molecular weight of 1475.32 g/mol. Its IUPAC name is 3-(2-ethyl-7-methylpyrido[2,3-d]pyrimidin-6-yl)-4-methylaniline;N-[3-(2-ethyl-7-methylpyrido[2,3-d]pyrimidin-6-yl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;(2-ethyl-7-methylpyrido[2,3-d]pyrimidin-6-yl) trifluoromethanesulfonate;4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline;2-(trifluoromethyl)pyridine-4-carboxylic acid.

Molecular Properties

• Compound Name: 3-(2-ethyl-7-methylpyrido[2,3-d]pyrimidin-6-yl)-4-methylaniline;N-[3-(2-ethyl-7-methylpyrido[2,3-d]pyrimidin-6-yl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;(2-ethyl-7-methylpyrido[2,3-d]pyrimidin-6-yl) trifluoromethanesulfonate;4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline;2-(trifluoromethyl)pyridine-4-carboxylic acid
• PubChem CID: 159400850
• Molecular Formula: C72H72BF9N14O8S
• Molecular Weight: 1475.32 g/mol
• Exact Mass: 1474.53
• IUPAC Name: 3-(2-ethyl-7-methylpyrido[2,3-d]pyrimidin-6-yl)-4-methylaniline;N-[3-(2-ethyl-7-methylpyrido[2,3-d]pyrimidin-6-yl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;(2-ethyl-7-methylpyrido[2,3-d]pyrimidin-6-yl) trifluoromethanesulfonate;4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline;2-(trifluoromethyl)pyridine-4-carboxylic acid
• SMILES: CCc1ncc2cc(-c3cc(N)ccc3C)c(C)nc2n1.CCc1ncc2cc(-c3cc(NC(=O)c4ccnc(C(F)(F)F)c4)ccc3C)c(C)nc2n1.CCc1ncc2cc(OS(=O)(=O)C(F)(F)F)c(C)nc2n1.Cc1ccc(N)cc1B1OC(C)(C)C(C)(C)O1.O=C(O)c1ccnc(C(F)(F)F)c1
• InChI: InChI=1S/C24H20F3N5O.C17H18N4.C13H20BNO2.C11H10F3N3O3S.C7H4F3NO2/c1-4-21-29-12-16-9-19(14(3)30-22(16)32-21)18-11-17(6-5-13(18)2)31-23(33)15-7-8-28-20(10-15)24(25,26)27;1-4-16-19-9-12-7-15(11(3)20-17(12)21-16)14-8-13(18)6-5-10(14)2;1-9-6-7-10(15)8-11(9)14-16-12(2,3)13(4,5)17-14;1-3-9-15-5-7-4-8(6(2)16-10(7)17-9)20-21(18,19)11(12,13)14;8-7(9,10)5-3-4(6(12)13)1-2-11-5/h5-12H,4H2,1-3H3,(H,31,33);5-9H,4,18H2,1-3H3;6-8H,15H2,1-5H3;4-5H,3H2,1-2H3;1-3H,(H,12,13)
• InChIKey: LNHYEBCMUAXVPH-UHFFFAOYSA-N
• XLogP: 14.79
• TPSA: 322.06 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 20
• Rotatable Bonds: 11
• Heavy Atoms: 105
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1475.32
LogP ≤ 5	14.79
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', '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 3-(2-ethyl-7-methylpyrido[2,3-d]pyrimidin-6-yl)-4-methylaniline;N-[3-(2-ethyl-7-methylpyrido[2,3-d]pyrimidin-6-yl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;(2-ethyl-7-methylpyrido[2,3-d]pyrimidin-6-yl) trifluoromethanesulfonate;4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline;2-(trifluoromethyl)pyridine-4-carboxylic acid?

The IUPAC name of 3-(2-ethyl-7-methylpyrido[2,3-d]pyrimidin-6-yl)-4-methylaniline;N-[3-(2-ethyl-7-methylpyrido[2,3-d]pyrimidin-6-yl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;(2-ethyl-7-methylpyrido[2,3-d]pyrimidin-6-yl) trifluoromethanesulfonate;4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline;2-(trifluoromethyl)pyridine-4-carboxylic acid (CID 159400850) is 3-(2-ethyl-7-methylpyrido[2,3-d]pyrimidin-6-yl)-4-methylaniline;N-[3-(2-ethyl-7-methylpyrido[2,3-d]pyrimidin-6-yl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;(2-ethyl-7-methylpyrido[2,3-d]pyrimidin-6-yl) trifluoromethanesulfonate;4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline;2-(trifluoromethyl)pyridine-4-carboxylic acid.

What is the SMILES notation for 3-(2-ethyl-7-methylpyrido[2,3-d]pyrimidin-6-yl)-4-methylaniline;N-[3-(2-ethyl-7-methylpyrido[2,3-d]pyrimidin-6-yl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;(2-ethyl-7-methylpyrido[2,3-d]pyrimidin-6-yl) trifluoromethanesulfonate;4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline;2-(trifluoromethyl)pyridine-4-carboxylic acid?

The canonical SMILES for 3-(2-ethyl-7-methylpyrido[2,3-d]pyrimidin-6-yl)-4-methylaniline;N-[3-(2-ethyl-7-methylpyrido[2,3-d]pyrimidin-6-yl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;(2-ethyl-7-methylpyrido[2,3-d]pyrimidin-6-yl) trifluoromethanesulfonate;4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline;2-(trifluoromethyl)pyridine-4-carboxylic acid is CCc1ncc2cc(-c3cc(N)ccc3C)c(C)nc2n1.CCc1ncc2cc(-c3cc(NC(=O)c4ccnc(C(F)(F)F)c4)ccc3C)c(C)nc2n1.CCc1ncc2cc(OS(=O)(=O)C(F)(F)F)c(C)nc2n1.Cc1ccc(N)cc1B1OC(C)(C)C(C)(C)O1.O=C(O)c1ccnc(C(F)(F)F)c1.

What is the InChIKey of 3-(2-ethyl-7-methylpyrido[2,3-d]pyrimidin-6-yl)-4-methylaniline;N-[3-(2-ethyl-7-methylpyrido[2,3-d]pyrimidin-6-yl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;(2-ethyl-7-methylpyrido[2,3-d]pyrimidin-6-yl) trifluoromethanesulfonate;4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline;2-(trifluoromethyl)pyridine-4-carboxylic acid?

The InChIKey is LNHYEBCMUAXVPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F3N5O.C17H18N4.C13H20BNO2.C11H10F3N3O3S.C7H4F3NO2/c1-4-21-29-12-16-9-19(14(3)30-22(16)32-21)18-11-17(6-5-13(18)2)31-23(33)15-7-8-28-20(10-15)24(25,26)27;1-4-16-19-9-12-7-15(11(3)20-17(12)21-16)14-8-13(18)6-5-10(14)2;1-9-6-7-10(15)8-11(9)14-16-12(2,3)13(4,5)17-14;1-3-9-15-5-7-4-8(6(2)16-10(7)17-9)20-21(18,19)11(12,13)14;8-7(9,10)5-3-4(6(12)13)1-2-11-5/h5-12H,4H2,1-3H3,(H,31,33);5-9H,4,18H2,1-3H3;6-8H,15H2,1-5H3;4-5H,3H2,1-2H3;1-3H,(H,12,13).

What are the key properties of 3-(2-ethyl-7-methylpyrido[2,3-d]pyrimidin-6-yl)-4-methylaniline;N-[3-(2-ethyl-7-methylpyrido[2,3-d]pyrimidin-6-yl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;(2-ethyl-7-methylpyrido[2,3-d]pyrimidin-6-yl) trifluoromethanesulfonate;4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline;2-(trifluoromethyl)pyridine-4-carboxylic acid?

3-(2-ethyl-7-methylpyrido[2,3-d]pyrimidin-6-yl)-4-methylaniline;N-[3-(2-ethyl-7-methylpyrido[2,3-d]pyrimidin-6-yl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;(2-ethyl-7-methylpyrido[2,3-d]pyrimidin-6-yl) trifluoromethanesulfonate;4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline;2-(trifluoromethyl)pyridine-4-carboxylic acid has a molecular weight of 1475.32 g/mol, XLogP of 14.79, 11 rotatable bonds, 4 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(2-ethyl-7-methylpyrido[2,3-d]pyrimidin-6-yl)-4-methylaniline;N-[3-(2-ethyl-7-methylpyrido[2,3-d]pyrimidin-6-yl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;(2-ethyl-7-methylpyrido[2,3-d]pyrimidin-6-yl) trifluoromethanesulfonate;4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline;2-(trifluoromethyl)pyridine-4-carboxylic acid is sourced from PubChem (CID 159400850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).