2-[7-[5-[chloro(difluoro)methyl]-1,2,4-oxadiazol-3-yl]imidazo[1,2-a]pyridin-2-yl]-N-[(2-chloro-6-methoxyphenyl)-methyl-oxo-λ6-sulfanylidene]acetamide

C20H15Cl2F2N5O4S — CID 162532745

About 2-[7-[5-[chloro(difluoro)methyl]-1,2,4-oxadiazol-3-yl]imidazo[1,2-a]pyridin-2-yl]-N-[(2-chloro-6-methoxyphenyl)-methyl-oxo-λ6-sulfanylidene]acetamide

2-[7-[5-[chloro(difluoro)methyl]-1,2,4-oxadiazol-3-yl]imidazo[1,2-a]pyridin-2-yl]-N-[(2-chloro-6-methoxyphenyl)-methyl-oxo-λ6-sulfanylidene]acetamide (PubChem CID 162532745) has the molecular formula C20H15Cl2F2N5O4S and a molecular weight of 530.34 g/mol. Its IUPAC name is 2-[7-[5-[chloro(difluoro)methyl]-1,2,4-oxadiazol-3-yl]imidazo[1,2-a]pyridin-2-yl]-N-[(2-chloro-6-methoxyphenyl)-methyl-oxo-λ6-sulfanylidene]acetamide.

Molecular Properties

• Compound Name: 2-[7-[5-[chloro(difluoro)methyl]-1,2,4-oxadiazol-3-yl]imidazo[1,2-a]pyridin-2-yl]-N-[(2-chloro-6-methoxyphenyl)-methyl-oxo-λ6-sulfanylidene]acetamide
• PubChem CID: 162532745
• Molecular Formula: C20H15Cl2F2N5O4S
• Molecular Weight: 530.34 g/mol
• Exact Mass: 529.02
• IUPAC Name: 2-[7-[5-[chloro(difluoro)methyl]-1,2,4-oxadiazol-3-yl]imidazo[1,2-a]pyridin-2-yl]-N-[(2-chloro-6-methoxyphenyl)-methyl-oxo-λ6-sulfanylidene]acetamide
• SMILES: COc1cccc(Cl)c1S(C)(=O)=NC(=O)Cc1cn2ccc(-c3noc(C(F)(F)Cl)n3)cc2n1
• InChI: InChI=1S/C20H15Cl2F2N5O4S/c1-32-14-5-3-4-13(21)17(14)34(2,31)28-16(30)9-12-10-29-7-6-11(8-15(29)25-12)18-26-19(33-27-18)20(22,23)24/h3-8,10H,9H2,1-2H3
• InChIKey: RVKOFUNMWYDQHN-UHFFFAOYSA-N
• XLogP: 4.56
• TPSA: 111.95 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	530.34
LogP ≤ 5	4.56
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[7-[5-[chloro(difluoro)methyl]-1,2,4-oxadiazol-3-yl]imidazo[1,2-a]pyridin-2-yl]-N-[(2-chloro-6-methoxyphenyl)-methyl-oxo-λ6-sulfanylidene]acetamide?

The IUPAC name of 2-[7-[5-[chloro(difluoro)methyl]-1,2,4-oxadiazol-3-yl]imidazo[1,2-a]pyridin-2-yl]-N-[(2-chloro-6-methoxyphenyl)-methyl-oxo-λ6-sulfanylidene]acetamide (CID 162532745) is 2-[7-[5-[chloro(difluoro)methyl]-1,2,4-oxadiazol-3-yl]imidazo[1,2-a]pyridin-2-yl]-N-[(2-chloro-6-methoxyphenyl)-methyl-oxo-λ6-sulfanylidene]acetamide.

What is the SMILES notation for 2-[7-[5-[chloro(difluoro)methyl]-1,2,4-oxadiazol-3-yl]imidazo[1,2-a]pyridin-2-yl]-N-[(2-chloro-6-methoxyphenyl)-methyl-oxo-λ6-sulfanylidene]acetamide?

The canonical SMILES for 2-[7-[5-[chloro(difluoro)methyl]-1,2,4-oxadiazol-3-yl]imidazo[1,2-a]pyridin-2-yl]-N-[(2-chloro-6-methoxyphenyl)-methyl-oxo-λ6-sulfanylidene]acetamide is COc1cccc(Cl)c1S(C)(=O)=NC(=O)Cc1cn2ccc(-c3noc(C(F)(F)Cl)n3)cc2n1.

What is the InChIKey of 2-[7-[5-[chloro(difluoro)methyl]-1,2,4-oxadiazol-3-yl]imidazo[1,2-a]pyridin-2-yl]-N-[(2-chloro-6-methoxyphenyl)-methyl-oxo-λ6-sulfanylidene]acetamide?

The InChIKey is RVKOFUNMWYDQHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15Cl2F2N5O4S/c1-32-14-5-3-4-13(21)17(14)34(2,31)28-16(30)9-12-10-29-7-6-11(8-15(29)25-12)18-26-19(33-27-18)20(22,23)24/h3-8,10H,9H2,1-2H3.

What are the key properties of 2-[7-[5-[chloro(difluoro)methyl]-1,2,4-oxadiazol-3-yl]imidazo[1,2-a]pyridin-2-yl]-N-[(2-chloro-6-methoxyphenyl)-methyl-oxo-λ6-sulfanylidene]acetamide?

2-[7-[5-[chloro(difluoro)methyl]-1,2,4-oxadiazol-3-yl]imidazo[1,2-a]pyridin-2-yl]-N-[(2-chloro-6-methoxyphenyl)-methyl-oxo-λ6-sulfanylidene]acetamide has a molecular weight of 530.34 g/mol, XLogP of 4.56, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[7-[5-[chloro(difluoro)methyl]-1,2,4-oxadiazol-3-yl]imidazo[1,2-a]pyridin-2-yl]-N-[(2-chloro-6-methoxyphenyl)-methyl-oxo-λ6-sulfanylidene]acetamide is sourced from PubChem (CID 162532745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).