methyl 2-[(3S)-6-[[(1R)-7-fluoro-4-[(5-methyl-2-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]oxy]-2,3-dihydro-1-benzofuran-3-yl]acetate

C26H24FNO5 — CID 144634740

About methyl 2-[(3S)-6-[[(1R)-7-fluoro-4-[(5-methyl-2-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]oxy]-2,3-dihydro-1-benzofuran-3-yl]acetate

methyl 2-[(3S)-6-[[(1R)-7-fluoro-4-[(5-methyl-2-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]oxy]-2,3-dihydro-1-benzofuran-3-yl]acetate (PubChem CID 144634740) has the molecular formula C26H24FNO5 and a molecular weight of 449.48 g/mol. Its IUPAC name is methyl 2-[(3S)-6-[[(1R)-7-fluoro-4-[(5-methyl-2-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]oxy]-2,3-dihydro-1-benzofuran-3-yl]acetate.

Molecular Properties

• Compound Name: methyl 2-[(3S)-6-[[(1R)-7-fluoro-4-[(5-methyl-2-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]oxy]-2,3-dihydro-1-benzofuran-3-yl]acetate
• PubChem CID: 144634740
• Molecular Formula: C26H24FNO5
• Molecular Weight: 449.48 g/mol
• Exact Mass: 449.16
• IUPAC Name: methyl 2-[(3S)-6-[[(1R)-7-fluoro-4-[(5-methyl-2-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]oxy]-2,3-dihydro-1-benzofuran-3-yl]acetate
• SMILES: COC(=O)C[C@@H]1COc2cc(O[C@@H]3CCc4c(Oc5ccc(C)cn5)ccc(F)c43)ccc21
• InChI: InChI=1S/C26H24FNO5/c1-15-3-10-24(28-13-15)33-21-9-7-20(27)26-19(21)6-8-22(26)32-17-4-5-18-16(11-25(29)30-2)14-31-23(18)12-17/h3-5,7,9-10,12-13,16,22H,6,8,11,14H2,1-2H3/t16-,22-/m1/s1
• InChIKey: FJOPUKXFNWCWQQ-OPAMFIHVSA-N
• XLogP: 5.43
• TPSA: 66.88 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	449.48
LogP ≤ 5	5.43
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(3S)-6-[[(1R)-7-fluoro-4-[(5-methyl-2-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]oxy]-2,3-dihydro-1-benzofuran-3-yl]acetate?

The IUPAC name of methyl 2-[(3S)-6-[[(1R)-7-fluoro-4-[(5-methyl-2-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]oxy]-2,3-dihydro-1-benzofuran-3-yl]acetate (CID 144634740) is methyl 2-[(3S)-6-[[(1R)-7-fluoro-4-[(5-methyl-2-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]oxy]-2,3-dihydro-1-benzofuran-3-yl]acetate.

What is the SMILES notation for methyl 2-[(3S)-6-[[(1R)-7-fluoro-4-[(5-methyl-2-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]oxy]-2,3-dihydro-1-benzofuran-3-yl]acetate?

The canonical SMILES for methyl 2-[(3S)-6-[[(1R)-7-fluoro-4-[(5-methyl-2-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]oxy]-2,3-dihydro-1-benzofuran-3-yl]acetate is COC(=O)C[C@@H]1COc2cc(O[C@@H]3CCc4c(Oc5ccc(C)cn5)ccc(F)c43)ccc21.

What is the InChIKey of methyl 2-[(3S)-6-[[(1R)-7-fluoro-4-[(5-methyl-2-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]oxy]-2,3-dihydro-1-benzofuran-3-yl]acetate?

The InChIKey is FJOPUKXFNWCWQQ-OPAMFIHVSA-N. The full InChI is InChI=1S/C26H24FNO5/c1-15-3-10-24(28-13-15)33-21-9-7-20(27)26-19(21)6-8-22(26)32-17-4-5-18-16(11-25(29)30-2)14-31-23(18)12-17/h3-5,7,9-10,12-13,16,22H,6,8,11,14H2,1-2H3/t16-,22-/m1/s1.

What are the key properties of methyl 2-[(3S)-6-[[(1R)-7-fluoro-4-[(5-methyl-2-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]oxy]-2,3-dihydro-1-benzofuran-3-yl]acetate?

methyl 2-[(3S)-6-[[(1R)-7-fluoro-4-[(5-methyl-2-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]oxy]-2,3-dihydro-1-benzofuran-3-yl]acetate has a molecular weight of 449.48 g/mol, XLogP of 5.43, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 2-[(3S)-6-[[(1R)-7-fluoro-4-[(5-methyl-2-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]oxy]-2,3-dihydro-1-benzofuran-3-yl]acetate is sourced from PubChem (CID 144634740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).