[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]-(6-methoxy-3-pyridinyl)methanone

C30H25N5O6S — CID 139269059

About [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]-(6-methoxy-3-pyridinyl)methanone

[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]-(6-methoxy-3-pyridinyl)methanone (PubChem CID 139269059) has the molecular formula C30H25N5O6S and a molecular weight of 583.63 g/mol. Its IUPAC name is [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]-(6-methoxy-3-pyridinyl)methanone.

Molecular Properties

• Compound Name: [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]-(6-methoxy-3-pyridinyl)methanone
• PubChem CID: 139269059
• Molecular Formula: C30H25N5O6S
• Molecular Weight: 583.63 g/mol
• Exact Mass: 583.15
• IUPAC Name: [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]-(6-methoxy-3-pyridinyl)methanone
• SMILES: COc1cc(OCc2cccc3c2CCN3C(=O)c2ccc(OC)nc2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1
• InChI: InChI=1S/C30H25N5O6S/c1-37-19-11-24(21-13-26(41-25(21)12-19)22-15-35-29(32-22)42-30(33-35)39-3)40-16-18-5-4-6-23-20(18)9-10-34(23)28(36)17-7-8-27(38-2)31-14-17/h4-8,11-15H,9-10,16H2,1-3H3
• InChIKey: IVSSNLFFZRJSEP-UHFFFAOYSA-N
• XLogP: 5.41
• TPSA: 113.45 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 8
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	583.63
LogP ≤ 5	5.41
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of [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]-(6-methoxy-3-pyridinyl)methanone?

The IUPAC name of [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]-(6-methoxy-3-pyridinyl)methanone (CID 139269059) is [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]-(6-methoxy-3-pyridinyl)methanone.

What is the SMILES notation for [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]-(6-methoxy-3-pyridinyl)methanone?

The canonical SMILES for [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]-(6-methoxy-3-pyridinyl)methanone is COc1cc(OCc2cccc3c2CCN3C(=O)c2ccc(OC)nc2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1.

What is the InChIKey of [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]-(6-methoxy-3-pyridinyl)methanone?

The InChIKey is IVSSNLFFZRJSEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25N5O6S/c1-37-19-11-24(21-13-26(41-25(21)12-19)22-15-35-29(32-22)42-30(33-35)39-3)40-16-18-5-4-6-23-20(18)9-10-34(23)28(36)17-7-8-27(38-2)31-14-17/h4-8,11-15H,9-10,16H2,1-3H3.

What are the key properties of [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]-(6-methoxy-3-pyridinyl)methanone?

[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]-(6-methoxy-3-pyridinyl)methanone has a molecular weight of 583.63 g/mol, XLogP of 5.41, 8 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for [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]-(6-methoxy-3-pyridinyl)methanone is sourced from PubChem (CID 139269059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).