5-fluoro-2-[[7-fluoro-1-[[3-(2-methoxyethyl)-2,3-dihydro-1-benzofuran-6-yl]oxy]-2,3-dihydro-1H-inden-4-yl]oxy]pyrimidine

C24H22F2N2O4 — CID 123339920

About 5-fluoro-2-[[7-fluoro-1-[[3-(2-methoxyethyl)-2,3-dihydro-1-benzofuran-6-yl]oxy]-2,3-dihydro-1H-inden-4-yl]oxy]pyrimidine

5-fluoro-2-[[7-fluoro-1-[[3-(2-methoxyethyl)-2,3-dihydro-1-benzofuran-6-yl]oxy]-2,3-dihydro-1H-inden-4-yl]oxy]pyrimidine (PubChem CID 123339920) has the molecular formula C24H22F2N2O4 and a molecular weight of 440.45 g/mol. Its IUPAC name is 5-fluoro-2-[[7-fluoro-1-[[3-(2-methoxyethyl)-2,3-dihydro-1-benzofuran-6-yl]oxy]-2,3-dihydro-1H-inden-4-yl]oxy]pyrimidine.

Molecular Properties

• Compound Name: 5-fluoro-2-[[7-fluoro-1-[[3-(2-methoxyethyl)-2,3-dihydro-1-benzofuran-6-yl]oxy]-2,3-dihydro-1H-inden-4-yl]oxy]pyrimidine
• PubChem CID: 123339920
• Molecular Formula: C24H22F2N2O4
• Molecular Weight: 440.45 g/mol
• Exact Mass: 440.15
• IUPAC Name: 5-fluoro-2-[[7-fluoro-1-[[3-(2-methoxyethyl)-2,3-dihydro-1-benzofuran-6-yl]oxy]-2,3-dihydro-1H-inden-4-yl]oxy]pyrimidine
• SMILES: COCCC1COc2cc(OC3CCc4c(Oc5ncc(F)cn5)ccc(F)c43)ccc21
• InChI: InChI=1S/C24H22F2N2O4/c1-29-9-8-14-13-30-22-10-16(2-3-17(14)22)31-21-6-4-18-20(7-5-19(26)23(18)21)32-24-27-11-15(25)12-28-24/h2-3,5,7,10-12,14,21H,4,6,8-9,13H2,1H3
• InChIKey: DRIQJWKAKPIYND-UHFFFAOYSA-N
• XLogP: 5.13
• TPSA: 62.70 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	440.45
LogP ≤ 5	5.13
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[[7-fluoro-1-[[3-(2-methoxyethyl)-2,3-dihydro-1-benzofuran-6-yl]oxy]-2,3-dihydro-1H-inden-4-yl]oxy]pyrimidine?

The IUPAC name of 5-fluoro-2-[[7-fluoro-1-[[3-(2-methoxyethyl)-2,3-dihydro-1-benzofuran-6-yl]oxy]-2,3-dihydro-1H-inden-4-yl]oxy]pyrimidine (CID 123339920) is 5-fluoro-2-[[7-fluoro-1-[[3-(2-methoxyethyl)-2,3-dihydro-1-benzofuran-6-yl]oxy]-2,3-dihydro-1H-inden-4-yl]oxy]pyrimidine.

What is the SMILES notation for 5-fluoro-2-[[7-fluoro-1-[[3-(2-methoxyethyl)-2,3-dihydro-1-benzofuran-6-yl]oxy]-2,3-dihydro-1H-inden-4-yl]oxy]pyrimidine?

The canonical SMILES for 5-fluoro-2-[[7-fluoro-1-[[3-(2-methoxyethyl)-2,3-dihydro-1-benzofuran-6-yl]oxy]-2,3-dihydro-1H-inden-4-yl]oxy]pyrimidine is COCCC1COc2cc(OC3CCc4c(Oc5ncc(F)cn5)ccc(F)c43)ccc21.

What is the InChIKey of 5-fluoro-2-[[7-fluoro-1-[[3-(2-methoxyethyl)-2,3-dihydro-1-benzofuran-6-yl]oxy]-2,3-dihydro-1H-inden-4-yl]oxy]pyrimidine?

The InChIKey is DRIQJWKAKPIYND-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F2N2O4/c1-29-9-8-14-13-30-22-10-16(2-3-17(14)22)31-21-6-4-18-20(7-5-19(26)23(18)21)32-24-27-11-15(25)12-28-24/h2-3,5,7,10-12,14,21H,4,6,8-9,13H2,1H3.

What are the key properties of 5-fluoro-2-[[7-fluoro-1-[[3-(2-methoxyethyl)-2,3-dihydro-1-benzofuran-6-yl]oxy]-2,3-dihydro-1H-inden-4-yl]oxy]pyrimidine?

5-fluoro-2-[[7-fluoro-1-[[3-(2-methoxyethyl)-2,3-dihydro-1-benzofuran-6-yl]oxy]-2,3-dihydro-1H-inden-4-yl]oxy]pyrimidine has a molecular weight of 440.45 g/mol, XLogP of 5.13, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-fluoro-2-[[7-fluoro-1-[[3-(2-methoxyethyl)-2,3-dihydro-1-benzofuran-6-yl]oxy]-2,3-dihydro-1H-inden-4-yl]oxy]pyrimidine is sourced from PubChem (CID 123339920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).