(2-fluorophenyl)-[4-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]-2,3-dihydroindol-1-yl]methanone

C30H23FN4O5S — CID 139269052

About (2-fluorophenyl)-[4-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]-2,3-dihydroindol-1-yl]methanone

(2-fluorophenyl)-[4-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]-2,3-dihydroindol-1-yl]methanone (PubChem CID 139269052) has the molecular formula C30H23FN4O5S and a molecular weight of 570.60 g/mol. Its IUPAC name is (2-fluorophenyl)-[4-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]-2,3-dihydroindol-1-yl]methanone.

Molecular Properties

• Compound Name: (2-fluorophenyl)-[4-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]-2,3-dihydroindol-1-yl]methanone
• PubChem CID: 139269052
• Molecular Formula: C30H23FN4O5S
• Molecular Weight: 570.60 g/mol
• Exact Mass: 570.14
• IUPAC Name: (2-fluorophenyl)-[4-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]-2,3-dihydroindol-1-yl]methanone
• SMILES: COc1cc(OCc2cccc3c2CCN3C(=O)c2ccccc2F)c2cc(-c3cn4nc(OC)sc4n3)oc2c1
• InChI: InChI=1S/C30H23FN4O5S/c1-37-18-12-25(21-14-27(40-26(21)13-18)23-15-35-29(32-23)41-30(33-35)38-2)39-16-17-6-5-9-24-19(17)10-11-34(24)28(36)20-7-3-4-8-22(20)31/h3-9,12-15H,10-11,16H2,1-2H3
• InChIKey: ODUPCRAOQFHNMS-UHFFFAOYSA-N
• XLogP: 6.14
• TPSA: 91.33 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	570.60
LogP ≤ 5	6.14
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of (2-fluorophenyl)-[4-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]-2,3-dihydroindol-1-yl]methanone?

The IUPAC name of (2-fluorophenyl)-[4-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]-2,3-dihydroindol-1-yl]methanone (CID 139269052) is (2-fluorophenyl)-[4-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]-2,3-dihydroindol-1-yl]methanone.

What is the SMILES notation for (2-fluorophenyl)-[4-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]-2,3-dihydroindol-1-yl]methanone?

The canonical SMILES for (2-fluorophenyl)-[4-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]-2,3-dihydroindol-1-yl]methanone is COc1cc(OCc2cccc3c2CCN3C(=O)c2ccccc2F)c2cc(-c3cn4nc(OC)sc4n3)oc2c1.

What is the InChIKey of (2-fluorophenyl)-[4-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]-2,3-dihydroindol-1-yl]methanone?

The InChIKey is ODUPCRAOQFHNMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H23FN4O5S/c1-37-18-12-25(21-14-27(40-26(21)13-18)23-15-35-29(32-23)41-30(33-35)38-2)39-16-17-6-5-9-24-19(17)10-11-34(24)28(36)20-7-3-4-8-22(20)31/h3-9,12-15H,10-11,16H2,1-2H3.

What are the key properties of (2-fluorophenyl)-[4-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]-2,3-dihydroindol-1-yl]methanone?

(2-fluorophenyl)-[4-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]-2,3-dihydroindol-1-yl]methanone has a molecular weight of 570.60 g/mol, XLogP of 6.14, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for (2-fluorophenyl)-[4-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]-2,3-dihydroindol-1-yl]methanone is sourced from PubChem (CID 139269052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).