2,6-difluoro-N-[3-[3-[2-[3-(2-sulfamoylethyl)anilino]pyrimidin-4-yl]pyrazolo[1,5-a]pyridin-2-yl]phenyl]benzamide

C32H25F2N7O3S — CID 44529220

About 2,6-difluoro-N-[3-[3-[2-[3-(2-sulfamoylethyl)anilino]pyrimidin-4-yl]pyrazolo[1,5-a]pyridin-2-yl]phenyl]benzamide

2,6-difluoro-N-[3-[3-[2-[3-(2-sulfamoylethyl)anilino]pyrimidin-4-yl]pyrazolo[1,5-a]pyridin-2-yl]phenyl]benzamide (PubChem CID 44529220) has the molecular formula C32H25F2N7O3S and a molecular weight of 625.66 g/mol. Its IUPAC name is 2,6-difluoro-N-[3-[3-[2-[3-(2-sulfamoylethyl)anilino]pyrimidin-4-yl]pyrazolo[1,5-a]pyridin-2-yl]phenyl]benzamide.

Molecular Properties

• Compound Name: 2,6-difluoro-N-[3-[3-[2-[3-(2-sulfamoylethyl)anilino]pyrimidin-4-yl]pyrazolo[1,5-a]pyridin-2-yl]phenyl]benzamide
• PubChem CID: 44529220
• Molecular Formula: C32H25F2N7O3S
• Molecular Weight: 625.66 g/mol
• Exact Mass: 625.17
• IUPAC Name: 2,6-difluoro-N-[3-[3-[2-[3-(2-sulfamoylethyl)anilino]pyrimidin-4-yl]pyrazolo[1,5-a]pyridin-2-yl]phenyl]benzamide
• SMILES: NS(=O)(=O)CCc1cccc(Nc2nccc(-c3c(-c4cccc(NC(=O)c5c(F)cccc5F)c4)nn4ccccc34)n2)c1
• InChI: InChI=1S/C32H25F2N7O3S/c33-24-10-5-11-25(34)28(24)31(42)37-23-9-4-7-21(19-23)30-29(27-12-1-2-16-41(27)40-30)26-13-15-36-32(39-26)38-22-8-3-6-20(18-22)14-17-45(35,43)44/h1-13,15-16,18-19H,14,17H2,(H,37,42)(H2,35,43,44)(H,36,38,39)
• InChIKey: GNVHOZGRVFXXKG-UHFFFAOYSA-N
• XLogP: 5.56
• TPSA: 144.37 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	625.66
LogP ≤ 5	5.56
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-[3-[3-[2-[3-(2-sulfamoylethyl)anilino]pyrimidin-4-yl]pyrazolo[1,5-a]pyridin-2-yl]phenyl]benzamide?

The IUPAC name of 2,6-difluoro-N-[3-[3-[2-[3-(2-sulfamoylethyl)anilino]pyrimidin-4-yl]pyrazolo[1,5-a]pyridin-2-yl]phenyl]benzamide (CID 44529220) is 2,6-difluoro-N-[3-[3-[2-[3-(2-sulfamoylethyl)anilino]pyrimidin-4-yl]pyrazolo[1,5-a]pyridin-2-yl]phenyl]benzamide.

What is the SMILES notation for 2,6-difluoro-N-[3-[3-[2-[3-(2-sulfamoylethyl)anilino]pyrimidin-4-yl]pyrazolo[1,5-a]pyridin-2-yl]phenyl]benzamide?

The canonical SMILES for 2,6-difluoro-N-[3-[3-[2-[3-(2-sulfamoylethyl)anilino]pyrimidin-4-yl]pyrazolo[1,5-a]pyridin-2-yl]phenyl]benzamide is NS(=O)(=O)CCc1cccc(Nc2nccc(-c3c(-c4cccc(NC(=O)c5c(F)cccc5F)c4)nn4ccccc34)n2)c1.

What is the InChIKey of 2,6-difluoro-N-[3-[3-[2-[3-(2-sulfamoylethyl)anilino]pyrimidin-4-yl]pyrazolo[1,5-a]pyridin-2-yl]phenyl]benzamide?

The InChIKey is GNVHOZGRVFXXKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H25F2N7O3S/c33-24-10-5-11-25(34)28(24)31(42)37-23-9-4-7-21(19-23)30-29(27-12-1-2-16-41(27)40-30)26-13-15-36-32(39-26)38-22-8-3-6-20(18-22)14-17-45(35,43)44/h1-13,15-16,18-19H,14,17H2,(H,37,42)(H2,35,43,44)(H,36,38,39).

What are the key properties of 2,6-difluoro-N-[3-[3-[2-[3-(2-sulfamoylethyl)anilino]pyrimidin-4-yl]pyrazolo[1,5-a]pyridin-2-yl]phenyl]benzamide?

2,6-difluoro-N-[3-[3-[2-[3-(2-sulfamoylethyl)anilino]pyrimidin-4-yl]pyrazolo[1,5-a]pyridin-2-yl]phenyl]benzamide has a molecular weight of 625.66 g/mol, XLogP of 5.56, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2,6-difluoro-N-[3-[3-[2-[3-(2-sulfamoylethyl)anilino]pyrimidin-4-yl]pyrazolo[1,5-a]pyridin-2-yl]phenyl]benzamide is sourced from PubChem (CID 44529220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).