[2-[7-[5-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]-1,2,3,4-tetrahydrocyclopenta[b]indol-3-yl]acetyl] 2-[7-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)-1,2,3,4-tetrahydrocyclopenta[b]indol-3-yl]acetate

C43H35N7O7 — CID 90891944

About [2-[7-[5-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]-1,2,3,4-tetrahydrocyclopenta[b]indol-3-yl]acetyl] 2-[7-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)-1,2,3,4-tetrahydrocyclopenta[b]indol-3-yl]acetate

[2-[7-[5-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]-1,2,3,4-tetrahydrocyclopenta[b]indol-3-yl]acetyl] 2-[7-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)-1,2,3,4-tetrahydrocyclopenta[b]indol-3-yl]acetate (PubChem CID 90891944) has the molecular formula C43H35N7O7 and a molecular weight of 761.80 g/mol. Its IUPAC name is [2-[7-[5-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]-1,2,3,4-tetrahydrocyclopenta[b]indol-3-yl]acetyl] 2-[7-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)-1,2,3,4-tetrahydrocyclopenta[b]indol-3-yl]acetate.

Molecular Properties

• Compound Name: [2-[7-[5-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]-1,2,3,4-tetrahydrocyclopenta[b]indol-3-yl]acetyl] 2-[7-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)-1,2,3,4-tetrahydrocyclopenta[b]indol-3-yl]acetate
• PubChem CID: 90891944
• Molecular Formula: C43H35N7O7
• Molecular Weight: 761.80 g/mol
• Exact Mass: 761.26
• IUPAC Name: [2-[7-[5-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]-1,2,3,4-tetrahydrocyclopenta[b]indol-3-yl]acetyl] 2-[7-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)-1,2,3,4-tetrahydrocyclopenta[b]indol-3-yl]acetate
• SMILES: COc1cc(OC)cc(-c2nc(-c3ccc4[nH]c5c(c4c3)CCC5CC(=O)OC(=O)CC3CCc4c3[nH]c3ccc(-c5noc(-c6cccnc6)n5)cc43)no2)c1
• InChI: InChI=1S/C43H35N7O7/c1-53-28-14-27(15-29(20-28)54-2)43-48-41(50-57-43)25-8-12-35-33(17-25)31-10-6-23(39(31)46-35)19-37(52)55-36(51)18-22-5-9-30-32-16-24(7-11-34(32)45-38(22)30)40-47-42(56-49-40)26-4-3-13-44-21-26/h3-4,7-8,11-17,20-23,45-46H,5-6,9-10,18-19H2,1-2H3
• InChIKey: JFAJZPXYKOVASH-UHFFFAOYSA-N
• XLogP: 8.11
• TPSA: 184.14 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 12
• Rotatable Bonds: 10
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	761.80
LogP ≤ 5	8.11
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [2-[7-[5-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]-1,2,3,4-tetrahydrocyclopenta[b]indol-3-yl]acetyl] 2-[7-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)-1,2,3,4-tetrahydrocyclopenta[b]indol-3-yl]acetate?

The IUPAC name of [2-[7-[5-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]-1,2,3,4-tetrahydrocyclopenta[b]indol-3-yl]acetyl] 2-[7-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)-1,2,3,4-tetrahydrocyclopenta[b]indol-3-yl]acetate (CID 90891944) is [2-[7-[5-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]-1,2,3,4-tetrahydrocyclopenta[b]indol-3-yl]acetyl] 2-[7-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)-1,2,3,4-tetrahydrocyclopenta[b]indol-3-yl]acetate.

What is the SMILES notation for [2-[7-[5-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]-1,2,3,4-tetrahydrocyclopenta[b]indol-3-yl]acetyl] 2-[7-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)-1,2,3,4-tetrahydrocyclopenta[b]indol-3-yl]acetate?

The canonical SMILES for [2-[7-[5-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]-1,2,3,4-tetrahydrocyclopenta[b]indol-3-yl]acetyl] 2-[7-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)-1,2,3,4-tetrahydrocyclopenta[b]indol-3-yl]acetate is COc1cc(OC)cc(-c2nc(-c3ccc4[nH]c5c(c4c3)CCC5CC(=O)OC(=O)CC3CCc4c3[nH]c3ccc(-c5noc(-c6cccnc6)n5)cc43)no2)c1.

What is the InChIKey of [2-[7-[5-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]-1,2,3,4-tetrahydrocyclopenta[b]indol-3-yl]acetyl] 2-[7-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)-1,2,3,4-tetrahydrocyclopenta[b]indol-3-yl]acetate?

The InChIKey is JFAJZPXYKOVASH-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H35N7O7/c1-53-28-14-27(15-29(20-28)54-2)43-48-41(50-57-43)25-8-12-35-33(17-25)31-10-6-23(39(31)46-35)19-37(52)55-36(51)18-22-5-9-30-32-16-24(7-11-34(32)45-38(22)30)40-47-42(56-49-40)26-4-3-13-44-21-26/h3-4,7-8,11-17,20-23,45-46H,5-6,9-10,18-19H2,1-2H3.

What are the key properties of [2-[7-[5-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]-1,2,3,4-tetrahydrocyclopenta[b]indol-3-yl]acetyl] 2-[7-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)-1,2,3,4-tetrahydrocyclopenta[b]indol-3-yl]acetate?

[2-[7-[5-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]-1,2,3,4-tetrahydrocyclopenta[b]indol-3-yl]acetyl] 2-[7-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)-1,2,3,4-tetrahydrocyclopenta[b]indol-3-yl]acetate has a molecular weight of 761.80 g/mol, XLogP of 8.11, 10 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[7-[5-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]-1,2,3,4-tetrahydrocyclopenta[b]indol-3-yl]acetyl] 2-[7-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)-1,2,3,4-tetrahydrocyclopenta[b]indol-3-yl]acetate is sourced from PubChem (CID 90891944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).