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

C27H26F2N8O4S — CID 155523856

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

2,4-difluoro-N-[2-methoxy-5-[3-[1-(2-morpholin-4-ylethyl)triazol-4-yl]imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]benzenesulfonamide (PubChem CID 155523856) has the molecular formula C27H26F2N8O4S and a molecular weight of 596.62 g/mol. Its IUPAC name is 2,4-difluoro-N-[2-methoxy-5-[3-[1-(2-morpholin-4-ylethyl)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-(2-morpholin-4-ylethyl)triazol-4-yl]imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]benzenesulfonamide
• PubChem CID: 155523856
• Molecular Formula: C27H26F2N8O4S
• Molecular Weight: 596.62 g/mol
• Exact Mass: 596.18
• IUPAC Name: 2,4-difluoro-N-[2-methoxy-5-[3-[1-(2-morpholin-4-ylethyl)triazol-4-yl]imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]benzenesulfonamide
• SMILES: COc1ncc(-c2ccc3ncc(-c4cn(CCN5CCOCC5)nn4)n3c2)cc1NS(=O)(=O)c1ccc(F)cc1F
• InChI: InChI=1S/C27H26F2N8O4S/c1-40-27-22(33-42(38,39)25-4-3-20(28)13-21(25)29)12-19(14-31-27)18-2-5-26-30-15-24(37(26)16-18)23-17-36(34-32-23)7-6-35-8-10-41-11-9-35/h2-5,12-17,33H,6-11H2,1H3
• InChIKey: LSOLBOPIFMVHCH-UHFFFAOYSA-N
• XLogP: 3.07
• TPSA: 128.77 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 9
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	596.62
LogP ≤ 5	3.07
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-(2-morpholin-4-ylethyl)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-(2-morpholin-4-ylethyl)triazol-4-yl]imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]benzenesulfonamide (CID 155523856) is 2,4-difluoro-N-[2-methoxy-5-[3-[1-(2-morpholin-4-ylethyl)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-(2-morpholin-4-ylethyl)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-(2-morpholin-4-ylethyl)triazol-4-yl]imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]benzenesulfonamide is COc1ncc(-c2ccc3ncc(-c4cn(CCN5CCOCC5)nn4)n3c2)cc1NS(=O)(=O)c1ccc(F)cc1F.

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

The InChIKey is LSOLBOPIFMVHCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26F2N8O4S/c1-40-27-22(33-42(38,39)25-4-3-20(28)13-21(25)29)12-19(14-31-27)18-2-5-26-30-15-24(37(26)16-18)23-17-36(34-32-23)7-6-35-8-10-41-11-9-35/h2-5,12-17,33H,6-11H2,1H3.

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

2,4-difluoro-N-[2-methoxy-5-[3-[1-(2-morpholin-4-ylethyl)triazol-4-yl]imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]benzenesulfonamide has a molecular weight of 596.62 g/mol, XLogP of 3.07, 9 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-(2-morpholin-4-ylethyl)triazol-4-yl]imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 155523856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).