2-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)-N-[5-(3-methoxyoxetan-3-yl)-1-methylpyrazol-3-yl]sulfonylacetamide

C24H27FN4O5S — CID 147055331

About 2-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)-N-[5-(3-methoxyoxetan-3-yl)-1-methylpyrazol-3-yl]sulfonylacetamide

2-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)-N-[5-(3-methoxyoxetan-3-yl)-1-methylpyrazol-3-yl]sulfonylacetamide (PubChem CID 147055331) has the molecular formula C24H27FN4O5S and a molecular weight of 502.57 g/mol. Its IUPAC name is 2-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)-N-[5-(3-methoxyoxetan-3-yl)-1-methylpyrazol-3-yl]sulfonylacetamide.

Molecular Properties

• Compound Name: 2-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)-N-[5-(3-methoxyoxetan-3-yl)-1-methylpyrazol-3-yl]sulfonylacetamide
• PubChem CID: 147055331
• Molecular Formula: C24H27FN4O5S
• Molecular Weight: 502.57 g/mol
• Exact Mass: 502.17
• IUPAC Name: 2-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)-N-[5-(3-methoxyoxetan-3-yl)-1-methylpyrazol-3-yl]sulfonylacetamide
• SMILES: COC1(c2cc(S(=O)(=O)NC(=O)Cc3c(-c4cccnc4)cc(F)cc3C(C)C)nn2C)COC1
• InChI: InChI=1S/C24H27FN4O5S/c1-15(2)18-8-17(25)9-19(16-6-5-7-26-12-16)20(18)10-22(30)28-35(31,32)23-11-21(29(3)27-23)24(33-4)13-34-14-24/h5-9,11-12,15H,10,13-14H2,1-4H3,(H,28,30)
• InChIKey: BCCVHHOQGLIMSF-UHFFFAOYSA-N
• XLogP: 2.66
• TPSA: 112.41 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	502.57
LogP ≤ 5	2.66
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)-N-[5-(3-methoxyoxetan-3-yl)-1-methylpyrazol-3-yl]sulfonylacetamide?

The IUPAC name of 2-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)-N-[5-(3-methoxyoxetan-3-yl)-1-methylpyrazol-3-yl]sulfonylacetamide (CID 147055331) is 2-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)-N-[5-(3-methoxyoxetan-3-yl)-1-methylpyrazol-3-yl]sulfonylacetamide.

What is the SMILES notation for 2-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)-N-[5-(3-methoxyoxetan-3-yl)-1-methylpyrazol-3-yl]sulfonylacetamide?

The canonical SMILES for 2-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)-N-[5-(3-methoxyoxetan-3-yl)-1-methylpyrazol-3-yl]sulfonylacetamide is COC1(c2cc(S(=O)(=O)NC(=O)Cc3c(-c4cccnc4)cc(F)cc3C(C)C)nn2C)COC1.

What is the InChIKey of 2-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)-N-[5-(3-methoxyoxetan-3-yl)-1-methylpyrazol-3-yl]sulfonylacetamide?

The InChIKey is BCCVHHOQGLIMSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN4O5S/c1-15(2)18-8-17(25)9-19(16-6-5-7-26-12-16)20(18)10-22(30)28-35(31,32)23-11-21(29(3)27-23)24(33-4)13-34-14-24/h5-9,11-12,15H,10,13-14H2,1-4H3,(H,28,30).

What are the key properties of 2-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)-N-[5-(3-methoxyoxetan-3-yl)-1-methylpyrazol-3-yl]sulfonylacetamide?

2-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)-N-[5-(3-methoxyoxetan-3-yl)-1-methylpyrazol-3-yl]sulfonylacetamide has a molecular weight of 502.57 g/mol, XLogP of 2.66, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)-N-[5-(3-methoxyoxetan-3-yl)-1-methylpyrazol-3-yl]sulfonylacetamide is sourced from PubChem (CID 147055331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).