5-N-[2-(6-fluoro-2-pyridinyl)imidazo[1,2-a]pyrimidin-7-yl]-4-N-(2-methoxyethyl)-4-N,1-dimethylpyrazole-4,5-dicarboxamide

C21H21FN8O3 — CID 165414871

About 5-N-[2-(6-fluoro-2-pyridinyl)imidazo[1,2-a]pyrimidin-7-yl]-4-N-(2-methoxyethyl)-4-N,1-dimethylpyrazole-4,5-dicarboxamide

5-N-[2-(6-fluoro-2-pyridinyl)imidazo[1,2-a]pyrimidin-7-yl]-4-N-(2-methoxyethyl)-4-N,1-dimethylpyrazole-4,5-dicarboxamide (PubChem CID 165414871) has the molecular formula C21H21FN8O3 and a molecular weight of 452.45 g/mol. Its IUPAC name is 5-N-[2-(6-fluoro-2-pyridinyl)imidazo[1,2-a]pyrimidin-7-yl]-4-N-(2-methoxyethyl)-4-N,1-dimethylpyrazole-4,5-dicarboxamide.

Molecular Properties

• Compound Name: 5-N-[2-(6-fluoro-2-pyridinyl)imidazo[1,2-a]pyrimidin-7-yl]-4-N-(2-methoxyethyl)-4-N,1-dimethylpyrazole-4,5-dicarboxamide
• PubChem CID: 165414871
• Molecular Formula: C21H21FN8O3
• Molecular Weight: 452.45 g/mol
• Exact Mass: 452.17
• IUPAC Name: 5-N-[2-(6-fluoro-2-pyridinyl)imidazo[1,2-a]pyrimidin-7-yl]-4-N-(2-methoxyethyl)-4-N,1-dimethylpyrazole-4,5-dicarboxamide
• SMILES: COCCN(C)C(=O)c1cnn(C)c1C(=O)Nc1ccn2cc(-c3cccc(F)n3)nc2n1
• InChI: InChI=1S/C21H21FN8O3/c1-28(9-10-33-3)20(32)13-11-23-29(2)18(13)19(31)26-17-7-8-30-12-15(25-21(30)27-17)14-5-4-6-16(22)24-14/h4-8,11-12H,9-10H2,1-3H3,(H,25,26,27,31)
• InChIKey: YCMMENMODTWBFR-UHFFFAOYSA-N
• XLogP: 1.63
• TPSA: 119.54 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	452.45
LogP ≤ 5	1.63
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-N-[2-(6-fluoro-2-pyridinyl)imidazo[1,2-a]pyrimidin-7-yl]-4-N-(2-methoxyethyl)-4-N,1-dimethylpyrazole-4,5-dicarboxamide?

The IUPAC name of 5-N-[2-(6-fluoro-2-pyridinyl)imidazo[1,2-a]pyrimidin-7-yl]-4-N-(2-methoxyethyl)-4-N,1-dimethylpyrazole-4,5-dicarboxamide (CID 165414871) is 5-N-[2-(6-fluoro-2-pyridinyl)imidazo[1,2-a]pyrimidin-7-yl]-4-N-(2-methoxyethyl)-4-N,1-dimethylpyrazole-4,5-dicarboxamide.

What is the SMILES notation for 5-N-[2-(6-fluoro-2-pyridinyl)imidazo[1,2-a]pyrimidin-7-yl]-4-N-(2-methoxyethyl)-4-N,1-dimethylpyrazole-4,5-dicarboxamide?

The canonical SMILES for 5-N-[2-(6-fluoro-2-pyridinyl)imidazo[1,2-a]pyrimidin-7-yl]-4-N-(2-methoxyethyl)-4-N,1-dimethylpyrazole-4,5-dicarboxamide is COCCN(C)C(=O)c1cnn(C)c1C(=O)Nc1ccn2cc(-c3cccc(F)n3)nc2n1.

What is the InChIKey of 5-N-[2-(6-fluoro-2-pyridinyl)imidazo[1,2-a]pyrimidin-7-yl]-4-N-(2-methoxyethyl)-4-N,1-dimethylpyrazole-4,5-dicarboxamide?

The InChIKey is YCMMENMODTWBFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN8O3/c1-28(9-10-33-3)20(32)13-11-23-29(2)18(13)19(31)26-17-7-8-30-12-15(25-21(30)27-17)14-5-4-6-16(22)24-14/h4-8,11-12H,9-10H2,1-3H3,(H,25,26,27,31).

What are the key properties of 5-N-[2-(6-fluoro-2-pyridinyl)imidazo[1,2-a]pyrimidin-7-yl]-4-N-(2-methoxyethyl)-4-N,1-dimethylpyrazole-4,5-dicarboxamide?

5-N-[2-(6-fluoro-2-pyridinyl)imidazo[1,2-a]pyrimidin-7-yl]-4-N-(2-methoxyethyl)-4-N,1-dimethylpyrazole-4,5-dicarboxamide has a molecular weight of 452.45 g/mol, XLogP of 1.63, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 5-N-[2-(6-fluoro-2-pyridinyl)imidazo[1,2-a]pyrimidin-7-yl]-4-N-(2-methoxyethyl)-4-N,1-dimethylpyrazole-4,5-dicarboxamide is sourced from PubChem (CID 165414871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).