2,4-difluoro-N-[2-methoxy-5-[3-[1-(3-morpholin-4-ylpropyl)triazol-4-yl]imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]benzenesulfonamide

C₂₈H₂₈F₂N₈O₄S — CID 155548197

About 2,4-difluoro-N-[2-methoxy-5-[3-[1-(3-morpholin-4-ylpropyl)triazol-4-yl]imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]benzenesulfonamide

2,4-difluoro-N-[2-methoxy-5-[3-[1-(3-morpholin-4-ylpropyl)triazol-4-yl]imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]benzenesulfonamide (PubChem CID 155548197) has the molecular formula C₂₈H₂₈F₂N₈O₄S and a molecular weight of 610.65 g/mol. Its IUPAC name is 2,4-difluoro-N-[2-methoxy-5-[3-[1-(3-morpholin-4-ylpropyl)triazol-4-yl]imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]benzenesulfonamide.

Molecular Properties

• Compound Name: 2,4-difluoro-N-[2-methoxy-5-[3-[1-(3-morpholin-4-ylpropyl)triazol-4-yl]imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]benzenesulfonamide
• PubChem CID: 155548197
• Molecular Formula: C₂₈H₂₈F₂N₈O₄S
• Molecular Weight: 610.65 g/mol
• Exact Mass: 610.19
• IUPAC Name: 2,4-difluoro-N-[2-methoxy-5-[3-[1-(3-morpholin-4-ylpropyl)triazol-4-yl]imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]benzenesulfonamide
• SMILES: COc1ncc(-c2ccc3ncc(-c4cn(CCCN5CCOCC5)nn4)n3c2)cc1NS(=O)(=O)c1ccc(F)cc1F
• InChI: InChI=1S/C28H28F2N8O4S/c1-41-28-23(34-43(39,40)26-5-4-21(29)14-22(26)30)13-20(15-32-28)19-3-6-27-31-16-25(38(27)17-19)24-18-37(35-33-24)8-2-7-36-9-11-42-12-10-36/h3-6,13-18,34H,2,7-12H2,1H3
• InChIKey: VUZIKMDBCRTJST-UHFFFAOYSA-N
• XLogP: 3.46
• TPSA: 128.77 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 10
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	610.65
LogP ≤ 5	3.46
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-[2-methoxy-5-[3-[1-(3-morpholin-4-ylpropyl)triazol-4-yl]imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]benzenesulfonamide?

The IUPAC name of 2,4-difluoro-N-[2-methoxy-5-[3-[1-(3-morpholin-4-ylpropyl)triazol-4-yl]imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]benzenesulfonamide (CID 155548197) is 2,4-difluoro-N-[2-methoxy-5-[3-[1-(3-morpholin-4-ylpropyl)triazol-4-yl]imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]benzenesulfonamide.

What is the SMILES notation for 2,4-difluoro-N-[2-methoxy-5-[3-[1-(3-morpholin-4-ylpropyl)triazol-4-yl]imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]benzenesulfonamide?

The canonical SMILES for 2,4-difluoro-N-[2-methoxy-5-[3-[1-(3-morpholin-4-ylpropyl)triazol-4-yl]imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]benzenesulfonamide is COc1ncc(-c2ccc3ncc(-c4cn(CCCN5CCOCC5)nn4)n3c2)cc1NS(=O)(=O)c1ccc(F)cc1F.

What is the InChIKey of 2,4-difluoro-N-[2-methoxy-5-[3-[1-(3-morpholin-4-ylpropyl)triazol-4-yl]imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]benzenesulfonamide?

The InChIKey is VUZIKMDBCRTJST-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28F2N8O4S/c1-41-28-23(34-43(39,40)26-5-4-21(29)14-22(26)30)13-20(15-32-28)19-3-6-27-31-16-25(38(27)17-19)24-18-37(35-33-24)8-2-7-36-9-11-42-12-10-36/h3-6,13-18,34H,2,7-12H2,1H3.

What are the key properties of 2,4-difluoro-N-[2-methoxy-5-[3-[1-(3-morpholin-4-ylpropyl)triazol-4-yl]imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]benzenesulfonamide?

2,4-difluoro-N-[2-methoxy-5-[3-[1-(3-morpholin-4-ylpropyl)triazol-4-yl]imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]benzenesulfonamide has a molecular weight of 610.65 g/mol, XLogP of 3.46, 10 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 2,4-difluoro-N-[2-methoxy-5-[3-[1-(3-morpholin-4-ylpropyl)triazol-4-yl]imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 155548197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 155548197 — identifiers, structure, computed properties (public domain)

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