N-[1-ethyl-5-(3-methoxyoxetan-3-yl)pyrazol-3-yl]sulfonyl-2-[4-fluoro-2-(2-methyl-4-pyridinyl)-6-propan-2-ylphenyl]acetamide

C26H31FN4O5S — CID 158587199

About N-[1-ethyl-5-(3-methoxyoxetan-3-yl)pyrazol-3-yl]sulfonyl-2-[4-fluoro-2-(2-methyl-4-pyridinyl)-6-propan-2-ylphenyl]acetamide

N-[1-ethyl-5-(3-methoxyoxetan-3-yl)pyrazol-3-yl]sulfonyl-2-[4-fluoro-2-(2-methyl-4-pyridinyl)-6-propan-2-ylphenyl]acetamide (PubChem CID 158587199) has the molecular formula C26H31FN4O5S and a molecular weight of 530.62 g/mol. Its IUPAC name is N-[1-ethyl-5-(3-methoxyoxetan-3-yl)pyrazol-3-yl]sulfonyl-2-[4-fluoro-2-(2-methyl-4-pyridinyl)-6-propan-2-ylphenyl]acetamide.

Molecular Properties

• Compound Name: N-[1-ethyl-5-(3-methoxyoxetan-3-yl)pyrazol-3-yl]sulfonyl-2-[4-fluoro-2-(2-methyl-4-pyridinyl)-6-propan-2-ylphenyl]acetamide
• PubChem CID: 158587199
• Molecular Formula: C26H31FN4O5S
• Molecular Weight: 530.62 g/mol
• Exact Mass: 530.20
• IUPAC Name: N-[1-ethyl-5-(3-methoxyoxetan-3-yl)pyrazol-3-yl]sulfonyl-2-[4-fluoro-2-(2-methyl-4-pyridinyl)-6-propan-2-ylphenyl]acetamide
• SMILES: CCn1nc(S(=O)(=O)NC(=O)Cc2c(-c3ccnc(C)c3)cc(F)cc2C(C)C)cc1C1(OC)COC1
• InChI: InChI=1S/C26H31FN4O5S/c1-6-31-23(26(35-5)14-36-15-26)13-25(29-31)37(33,34)30-24(32)12-22-20(16(2)3)10-19(27)11-21(22)18-7-8-28-17(4)9-18/h7-11,13,16H,6,12,14-15H2,1-5H3,(H,30,32)
• InChIKey: DWNRDGFHCJCUQY-UHFFFAOYSA-N
• XLogP: 3.46
• TPSA: 112.41 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	530.62
LogP ≤ 5	3.46
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[1-ethyl-5-(3-methoxyoxetan-3-yl)pyrazol-3-yl]sulfonyl-2-[4-fluoro-2-(2-methyl-4-pyridinyl)-6-propan-2-ylphenyl]acetamide?

The IUPAC name of N-[1-ethyl-5-(3-methoxyoxetan-3-yl)pyrazol-3-yl]sulfonyl-2-[4-fluoro-2-(2-methyl-4-pyridinyl)-6-propan-2-ylphenyl]acetamide (CID 158587199) is N-[1-ethyl-5-(3-methoxyoxetan-3-yl)pyrazol-3-yl]sulfonyl-2-[4-fluoro-2-(2-methyl-4-pyridinyl)-6-propan-2-ylphenyl]acetamide.

What is the SMILES notation for N-[1-ethyl-5-(3-methoxyoxetan-3-yl)pyrazol-3-yl]sulfonyl-2-[4-fluoro-2-(2-methyl-4-pyridinyl)-6-propan-2-ylphenyl]acetamide?

The canonical SMILES for N-[1-ethyl-5-(3-methoxyoxetan-3-yl)pyrazol-3-yl]sulfonyl-2-[4-fluoro-2-(2-methyl-4-pyridinyl)-6-propan-2-ylphenyl]acetamide is CCn1nc(S(=O)(=O)NC(=O)Cc2c(-c3ccnc(C)c3)cc(F)cc2C(C)C)cc1C1(OC)COC1.

What is the InChIKey of N-[1-ethyl-5-(3-methoxyoxetan-3-yl)pyrazol-3-yl]sulfonyl-2-[4-fluoro-2-(2-methyl-4-pyridinyl)-6-propan-2-ylphenyl]acetamide?

The InChIKey is DWNRDGFHCJCUQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31FN4O5S/c1-6-31-23(26(35-5)14-36-15-26)13-25(29-31)37(33,34)30-24(32)12-22-20(16(2)3)10-19(27)11-21(22)18-7-8-28-17(4)9-18/h7-11,13,16H,6,12,14-15H2,1-5H3,(H,30,32).

What are the key properties of N-[1-ethyl-5-(3-methoxyoxetan-3-yl)pyrazol-3-yl]sulfonyl-2-[4-fluoro-2-(2-methyl-4-pyridinyl)-6-propan-2-ylphenyl]acetamide?

N-[1-ethyl-5-(3-methoxyoxetan-3-yl)pyrazol-3-yl]sulfonyl-2-[4-fluoro-2-(2-methyl-4-pyridinyl)-6-propan-2-ylphenyl]acetamide has a molecular weight of 530.62 g/mol, XLogP of 3.46, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-ethyl-5-(3-methoxyoxetan-3-yl)pyrazol-3-yl]sulfonyl-2-[4-fluoro-2-(2-methyl-4-pyridinyl)-6-propan-2-ylphenyl]acetamide is sourced from PubChem (CID 158587199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).