2-[5-(2-cyano-4-pyridinyl)-7-fluoro-2,3-dihydro-1H-inden-4-yl]-N-[5-(3-methoxyoxetan-3-yl)-1-methylpyrazol-3-yl]sulfonylacetamide

C25H24FN5O5S — CID 147279981

About 2-[5-(2-cyano-4-pyridinyl)-7-fluoro-2,3-dihydro-1H-inden-4-yl]-N-[5-(3-methoxyoxetan-3-yl)-1-methylpyrazol-3-yl]sulfonylacetamide

2-[5-(2-cyano-4-pyridinyl)-7-fluoro-2,3-dihydro-1H-inden-4-yl]-N-[5-(3-methoxyoxetan-3-yl)-1-methylpyrazol-3-yl]sulfonylacetamide (PubChem CID 147279981) has the molecular formula C25H24FN5O5S and a molecular weight of 525.56 g/mol. Its IUPAC name is 2-[5-(2-cyano-4-pyridinyl)-7-fluoro-2,3-dihydro-1H-inden-4-yl]-N-[5-(3-methoxyoxetan-3-yl)-1-methylpyrazol-3-yl]sulfonylacetamide.

Molecular Properties

• Compound Name: 2-[5-(2-cyano-4-pyridinyl)-7-fluoro-2,3-dihydro-1H-inden-4-yl]-N-[5-(3-methoxyoxetan-3-yl)-1-methylpyrazol-3-yl]sulfonylacetamide
• PubChem CID: 147279981
• Molecular Formula: C25H24FN5O5S
• Molecular Weight: 525.56 g/mol
• Exact Mass: 525.15
• IUPAC Name: 2-[5-(2-cyano-4-pyridinyl)-7-fluoro-2,3-dihydro-1H-inden-4-yl]-N-[5-(3-methoxyoxetan-3-yl)-1-methylpyrazol-3-yl]sulfonylacetamide
• SMILES: COC1(c2cc(S(=O)(=O)NC(=O)Cc3c(-c4ccnc(C#N)c4)cc(F)c4c3CCC4)nn2C)COC1
• InChI: InChI=1S/C25H24FN5O5S/c1-31-22(25(35-2)13-36-14-25)11-24(29-31)37(33,34)30-23(32)10-20-17-4-3-5-18(17)21(26)9-19(20)15-6-7-28-16(8-15)12-27/h6-9,11H,3-5,10,13-14H2,1-2H3,(H,30,32)
• InChIKey: CSCOLXOLGFCFRI-UHFFFAOYSA-N
• XLogP: 1.90
• TPSA: 136.20 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	525.56
LogP ≤ 5	1.90
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-cyano-4-pyridinyl)-7-fluoro-2,3-dihydro-1H-inden-4-yl]-N-[5-(3-methoxyoxetan-3-yl)-1-methylpyrazol-3-yl]sulfonylacetamide?

The IUPAC name of 2-[5-(2-cyano-4-pyridinyl)-7-fluoro-2,3-dihydro-1H-inden-4-yl]-N-[5-(3-methoxyoxetan-3-yl)-1-methylpyrazol-3-yl]sulfonylacetamide (CID 147279981) is 2-[5-(2-cyano-4-pyridinyl)-7-fluoro-2,3-dihydro-1H-inden-4-yl]-N-[5-(3-methoxyoxetan-3-yl)-1-methylpyrazol-3-yl]sulfonylacetamide.

What is the SMILES notation for 2-[5-(2-cyano-4-pyridinyl)-7-fluoro-2,3-dihydro-1H-inden-4-yl]-N-[5-(3-methoxyoxetan-3-yl)-1-methylpyrazol-3-yl]sulfonylacetamide?

The canonical SMILES for 2-[5-(2-cyano-4-pyridinyl)-7-fluoro-2,3-dihydro-1H-inden-4-yl]-N-[5-(3-methoxyoxetan-3-yl)-1-methylpyrazol-3-yl]sulfonylacetamide is COC1(c2cc(S(=O)(=O)NC(=O)Cc3c(-c4ccnc(C#N)c4)cc(F)c4c3CCC4)nn2C)COC1.

What is the InChIKey of 2-[5-(2-cyano-4-pyridinyl)-7-fluoro-2,3-dihydro-1H-inden-4-yl]-N-[5-(3-methoxyoxetan-3-yl)-1-methylpyrazol-3-yl]sulfonylacetamide?

The InChIKey is CSCOLXOLGFCFRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN5O5S/c1-31-22(25(35-2)13-36-14-25)11-24(29-31)37(33,34)30-23(32)10-20-17-4-3-5-18(17)21(26)9-19(20)15-6-7-28-16(8-15)12-27/h6-9,11H,3-5,10,13-14H2,1-2H3,(H,30,32).

What are the key properties of 2-[5-(2-cyano-4-pyridinyl)-7-fluoro-2,3-dihydro-1H-inden-4-yl]-N-[5-(3-methoxyoxetan-3-yl)-1-methylpyrazol-3-yl]sulfonylacetamide?

2-[5-(2-cyano-4-pyridinyl)-7-fluoro-2,3-dihydro-1H-inden-4-yl]-N-[5-(3-methoxyoxetan-3-yl)-1-methylpyrazol-3-yl]sulfonylacetamide has a molecular weight of 525.56 g/mol, XLogP of 1.90, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-(2-cyano-4-pyridinyl)-7-fluoro-2,3-dihydro-1H-inden-4-yl]-N-[5-(3-methoxyoxetan-3-yl)-1-methylpyrazol-3-yl]sulfonylacetamide is sourced from PubChem (CID 147279981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).