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

C27H28FN5O5S — CID 146860347

About 2-[5-(2-cyano-4-pyridinyl)-7-fluoro-2,3-dihydro-1H-inden-4-yl]-N-[5-(3-methoxyoxetan-3-yl)-1-propan-2-ylpyrazol-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-propan-2-ylpyrazol-3-yl]sulfonylacetamide (PubChem CID 146860347) has the molecular formula C27H28FN5O5S and a molecular weight of 553.62 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-propan-2-ylpyrazol-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-propan-2-ylpyrazol-3-yl]sulfonylacetamide
• PubChem CID: 146860347
• Molecular Formula: C27H28FN5O5S
• Molecular Weight: 553.62 g/mol
• Exact Mass: 553.18
• IUPAC Name: 2-[5-(2-cyano-4-pyridinyl)-7-fluoro-2,3-dihydro-1H-inden-4-yl]-N-[5-(3-methoxyoxetan-3-yl)-1-propan-2-ylpyrazol-3-yl]sulfonylacetamide
• SMILES: COC1(c2cc(S(=O)(=O)NC(=O)Cc3c(-c4ccnc(C#N)c4)cc(F)c4c3CCC4)nn2C(C)C)COC1
• InChI: InChI=1S/C27H28FN5O5S/c1-16(2)33-24(27(37-3)14-38-15-27)12-26(31-33)39(35,36)32-25(34)11-22-19-5-4-6-20(19)23(28)10-21(22)17-7-8-30-18(9-17)13-29/h7-10,12,16H,4-6,11,14-15H2,1-3H3,(H,32,34)
• InChIKey: SKNKQIIHRHSUEM-UHFFFAOYSA-N
• XLogP: 2.94
• TPSA: 136.20 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	553.62
LogP ≤ 5	2.94
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-propan-2-ylpyrazol-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-propan-2-ylpyrazol-3-yl]sulfonylacetamide (CID 146860347) is 2-[5-(2-cyano-4-pyridinyl)-7-fluoro-2,3-dihydro-1H-inden-4-yl]-N-[5-(3-methoxyoxetan-3-yl)-1-propan-2-ylpyrazol-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-propan-2-ylpyrazol-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-propan-2-ylpyrazol-3-yl]sulfonylacetamide is COC1(c2cc(S(=O)(=O)NC(=O)Cc3c(-c4ccnc(C#N)c4)cc(F)c4c3CCC4)nn2C(C)C)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-propan-2-ylpyrazol-3-yl]sulfonylacetamide?

The InChIKey is SKNKQIIHRHSUEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28FN5O5S/c1-16(2)33-24(27(37-3)14-38-15-27)12-26(31-33)39(35,36)32-25(34)11-22-19-5-4-6-20(19)23(28)10-21(22)17-7-8-30-18(9-17)13-29/h7-10,12,16H,4-6,11,14-15H2,1-3H3,(H,32,34).

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-propan-2-ylpyrazol-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-propan-2-ylpyrazol-3-yl]sulfonylacetamide has a molecular weight of 553.62 g/mol, XLogP of 2.94, 8 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-propan-2-ylpyrazol-3-yl]sulfonylacetamide is sourced from PubChem (CID 146860347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).