1-(4-chlorophenyl)-N-(3-fluoro-4-thieno[3,2-b]pyridin-7-yloxyphenyl)-2-oxopyrrolidine-3-carboxamide

C24H17ClFN3O3S — CID 24983543

About 1-(4-chlorophenyl)-N-(3-fluoro-4-thieno[3,2-b]pyridin-7-yloxyphenyl)-2-oxopyrrolidine-3-carboxamide

1-(4-chlorophenyl)-N-(3-fluoro-4-thieno[3,2-b]pyridin-7-yloxyphenyl)-2-oxopyrrolidine-3-carboxamide (PubChem CID 24983543) has the molecular formula C24H17ClFN3O3S and a molecular weight of 481.94 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-(3-fluoro-4-thieno[3,2-b]pyridin-7-yloxyphenyl)-2-oxopyrrolidine-3-carboxamide.

Molecular Properties

• Compound Name: 1-(4-chlorophenyl)-N-(3-fluoro-4-thieno[3,2-b]pyridin-7-yloxyphenyl)-2-oxopyrrolidine-3-carboxamide
• PubChem CID: 24983543
• Molecular Formula: C24H17ClFN3O3S
• Molecular Weight: 481.94 g/mol
• Exact Mass: 481.07
• IUPAC Name: 1-(4-chlorophenyl)-N-(3-fluoro-4-thieno[3,2-b]pyridin-7-yloxyphenyl)-2-oxopyrrolidine-3-carboxamide
• SMILES: O=C(Nc1ccc(Oc2ccnc3ccsc23)c(F)c1)C1CCN(c2ccc(Cl)cc2)C1=O
• InChI: InChI=1S/C24H17ClFN3O3S/c25-14-1-4-16(5-2-14)29-11-8-17(24(29)31)23(30)28-15-3-6-20(18(26)13-15)32-21-7-10-27-19-9-12-33-22(19)21/h1-7,9-10,12-13,17H,8,11H2,(H,28,30)
• InChIKey: OSIHGXKVBUVAMA-UHFFFAOYSA-N
• XLogP: 5.87
• TPSA: 71.53 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	481.94
LogP ≤ 5	5.87
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-(3-fluoro-4-thieno[3,2-b]pyridin-7-yloxyphenyl)-2-oxopyrrolidine-3-carboxamide?

The IUPAC name of 1-(4-chlorophenyl)-N-(3-fluoro-4-thieno[3,2-b]pyridin-7-yloxyphenyl)-2-oxopyrrolidine-3-carboxamide (CID 24983543) is 1-(4-chlorophenyl)-N-(3-fluoro-4-thieno[3,2-b]pyridin-7-yloxyphenyl)-2-oxopyrrolidine-3-carboxamide.

What is the SMILES notation for 1-(4-chlorophenyl)-N-(3-fluoro-4-thieno[3,2-b]pyridin-7-yloxyphenyl)-2-oxopyrrolidine-3-carboxamide?

The canonical SMILES for 1-(4-chlorophenyl)-N-(3-fluoro-4-thieno[3,2-b]pyridin-7-yloxyphenyl)-2-oxopyrrolidine-3-carboxamide is O=C(Nc1ccc(Oc2ccnc3ccsc23)c(F)c1)C1CCN(c2ccc(Cl)cc2)C1=O.

What is the InChIKey of 1-(4-chlorophenyl)-N-(3-fluoro-4-thieno[3,2-b]pyridin-7-yloxyphenyl)-2-oxopyrrolidine-3-carboxamide?

The InChIKey is OSIHGXKVBUVAMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17ClFN3O3S/c25-14-1-4-16(5-2-14)29-11-8-17(24(29)31)23(30)28-15-3-6-20(18(26)13-15)32-21-7-10-27-19-9-12-33-22(19)21/h1-7,9-10,12-13,17H,8,11H2,(H,28,30).

What are the key properties of 1-(4-chlorophenyl)-N-(3-fluoro-4-thieno[3,2-b]pyridin-7-yloxyphenyl)-2-oxopyrrolidine-3-carboxamide?

1-(4-chlorophenyl)-N-(3-fluoro-4-thieno[3,2-b]pyridin-7-yloxyphenyl)-2-oxopyrrolidine-3-carboxamide has a molecular weight of 481.94 g/mol, XLogP of 5.87, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(4-chlorophenyl)-N-(3-fluoro-4-thieno[3,2-b]pyridin-7-yloxyphenyl)-2-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 24983543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).