[5-fluoro-6-(2-methoxyethylsulfinyl)-2,3-dihydroindol-1-yl]-[(2R)-5-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methanone

C25H23FN2O4S — CID 177035185

About [5-fluoro-6-(2-methoxyethylsulfinyl)-2,3-dihydroindol-1-yl]-[(2R)-5-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methanone

[5-fluoro-6-(2-methoxyethylsulfinyl)-2,3-dihydroindol-1-yl]-[(2R)-5-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methanone (PubChem CID 177035185) has the molecular formula C25H23FN2O4S and a molecular weight of 466.53 g/mol. Its IUPAC name is [5-fluoro-6-(2-methoxyethylsulfinyl)-2,3-dihydroindol-1-yl]-[(2R)-5-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methanone.

Molecular Properties

• Compound Name: [5-fluoro-6-(2-methoxyethylsulfinyl)-2,3-dihydroindol-1-yl]-[(2R)-5-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methanone
• PubChem CID: 177035185
• Molecular Formula: C25H23FN2O4S
• Molecular Weight: 466.53 g/mol
• Exact Mass: 466.14
• IUPAC Name: [5-fluoro-6-(2-methoxyethylsulfinyl)-2,3-dihydroindol-1-yl]-[(2R)-5-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methanone
• SMILES: COCCS(=O)c1cc2c(cc1F)CCN2C(=O)[C@H]1Cc2cc(-c3ccccn3)ccc2O1
• InChI: InChI=1S/C25H23FN2O4S/c1-31-10-11-33(30)24-15-21-17(13-19(24)26)7-9-28(21)25(29)23-14-18-12-16(5-6-22(18)32-23)20-4-2-3-8-27-20/h2-6,8,12-13,15,23H,7,9-11,14H2,1H3/t23-,33?/m1/s1
• InChIKey: ZNNFYLSPJGVAKC-PXWGLLCJSA-N
• XLogP: 3.53
• TPSA: 68.73 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	466.53
LogP ≤ 5	3.53
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of [5-fluoro-6-(2-methoxyethylsulfinyl)-2,3-dihydroindol-1-yl]-[(2R)-5-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methanone?

The IUPAC name of [5-fluoro-6-(2-methoxyethylsulfinyl)-2,3-dihydroindol-1-yl]-[(2R)-5-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methanone (CID 177035185) is [5-fluoro-6-(2-methoxyethylsulfinyl)-2,3-dihydroindol-1-yl]-[(2R)-5-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methanone.

What is the SMILES notation for [5-fluoro-6-(2-methoxyethylsulfinyl)-2,3-dihydroindol-1-yl]-[(2R)-5-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methanone?

The canonical SMILES for [5-fluoro-6-(2-methoxyethylsulfinyl)-2,3-dihydroindol-1-yl]-[(2R)-5-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methanone is COCCS(=O)c1cc2c(cc1F)CCN2C(=O)[C@H]1Cc2cc(-c3ccccn3)ccc2O1.

What is the InChIKey of [5-fluoro-6-(2-methoxyethylsulfinyl)-2,3-dihydroindol-1-yl]-[(2R)-5-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methanone?

The InChIKey is ZNNFYLSPJGVAKC-PXWGLLCJSA-N. The full InChI is InChI=1S/C25H23FN2O4S/c1-31-10-11-33(30)24-15-21-17(13-19(24)26)7-9-28(21)25(29)23-14-18-12-16(5-6-22(18)32-23)20-4-2-3-8-27-20/h2-6,8,12-13,15,23H,7,9-11,14H2,1H3/t23-,33?/m1/s1.

What are the key properties of [5-fluoro-6-(2-methoxyethylsulfinyl)-2,3-dihydroindol-1-yl]-[(2R)-5-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methanone?

[5-fluoro-6-(2-methoxyethylsulfinyl)-2,3-dihydroindol-1-yl]-[(2R)-5-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methanone has a molecular weight of 466.53 g/mol, XLogP of 3.53, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [5-fluoro-6-(2-methoxyethylsulfinyl)-2,3-dihydroindol-1-yl]-[(2R)-5-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methanone is sourced from PubChem (CID 177035185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).