N-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]-2-(4-methoxypiperidin-1-yl)acetamide;2,2,2-trifluoroacetic acid

C24H29F3N6O5 — CID 24824324

About N-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]-2-(4-methoxypiperidin-1-yl)acetamide;2,2,2-trifluoroacetic acid

N-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]-2-(4-methoxypiperidin-1-yl)acetamide;2,2,2-trifluoroacetic acid (PubChem CID 24824324) has the molecular formula C24H29F3N6O5 and a molecular weight of 538.53 g/mol. Its IUPAC name is N-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]-2-(4-methoxypiperidin-1-yl)acetamide;2,2,2-trifluoroacetic acid.

Molecular Properties

• Compound Name: N-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]-2-(4-methoxypiperidin-1-yl)acetamide;2,2,2-trifluoroacetic acid
• PubChem CID: 24824324
• Molecular Formula: C24H29F3N6O5
• Molecular Weight: 538.53 g/mol
• Exact Mass: 538.22
• IUPAC Name: N-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]-2-(4-methoxypiperidin-1-yl)acetamide;2,2,2-trifluoroacetic acid
• SMILES: COC1CCN(CC(=O)Nc2cc(-n3nc(C)cc3C)nc(-c3ccc(C)o3)n2)CC1.O=C(O)C(F)(F)F
• InChI: InChI=1S/C22H28N6O3.C2HF3O2/c1-14-11-15(2)28(26-14)20-12-19(24-22(25-20)18-6-5-16(3)31-18)23-21(29)13-27-9-7-17(30-4)8-10-27;3-2(4,5)1(6)7/h5-6,11-12,17H,7-10,13H2,1-4H3,(H,23,24,25,29);(H,6,7)
• InChIKey: ABIONWDHLXBHAD-UHFFFAOYSA-N
• XLogP: 3.53
• TPSA: 135.61 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	538.53
LogP ≤ 5	3.53
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]-2-(4-methoxypiperidin-1-yl)acetamide;2,2,2-trifluoroacetic acid?

The IUPAC name of N-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]-2-(4-methoxypiperidin-1-yl)acetamide;2,2,2-trifluoroacetic acid (CID 24824324) is N-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]-2-(4-methoxypiperidin-1-yl)acetamide;2,2,2-trifluoroacetic acid.

What is the SMILES notation for N-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]-2-(4-methoxypiperidin-1-yl)acetamide;2,2,2-trifluoroacetic acid?

The canonical SMILES for N-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]-2-(4-methoxypiperidin-1-yl)acetamide;2,2,2-trifluoroacetic acid is COC1CCN(CC(=O)Nc2cc(-n3nc(C)cc3C)nc(-c3ccc(C)o3)n2)CC1.O=C(O)C(F)(F)F.

What is the InChIKey of N-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]-2-(4-methoxypiperidin-1-yl)acetamide;2,2,2-trifluoroacetic acid?

The InChIKey is ABIONWDHLXBHAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N6O3.C2HF3O2/c1-14-11-15(2)28(26-14)20-12-19(24-22(25-20)18-6-5-16(3)31-18)23-21(29)13-27-9-7-17(30-4)8-10-27;3-2(4,5)1(6)7/h5-6,11-12,17H,7-10,13H2,1-4H3,(H,23,24,25,29);(H,6,7).

What are the key properties of N-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]-2-(4-methoxypiperidin-1-yl)acetamide;2,2,2-trifluoroacetic acid?

N-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]-2-(4-methoxypiperidin-1-yl)acetamide;2,2,2-trifluoroacetic acid has a molecular weight of 538.53 g/mol, XLogP of 3.53, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]-2-(4-methoxypiperidin-1-yl)acetamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 24824324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).