2,2,2-trifluoro-N-[[2-[3-methyl-7-oxo-6-[4-(2-sulfamoylphenyl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]phenyl]methyl]acetamide

C28H24F3N5O4S — CID 20760181

About 2,2,2-trifluoro-N-[[2-[3-methyl-7-oxo-6-[4-(2-sulfamoylphenyl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]phenyl]methyl]acetamide

2,2,2-trifluoro-N-[[2-[3-methyl-7-oxo-6-[4-(2-sulfamoylphenyl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]phenyl]methyl]acetamide (PubChem CID 20760181) has the molecular formula C28H24F3N5O4S and a molecular weight of 583.59 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[[2-[3-methyl-7-oxo-6-[4-(2-sulfamoylphenyl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]phenyl]methyl]acetamide.

Molecular Properties

• Compound Name: 2,2,2-trifluoro-N-[[2-[3-methyl-7-oxo-6-[4-(2-sulfamoylphenyl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]phenyl]methyl]acetamide
• PubChem CID: 20760181
• Molecular Formula: C28H24F3N5O4S
• Molecular Weight: 583.59 g/mol
• Exact Mass: 583.15
• IUPAC Name: 2,2,2-trifluoro-N-[[2-[3-methyl-7-oxo-6-[4-(2-sulfamoylphenyl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]phenyl]methyl]acetamide
• SMILES: Cc1nn(-c2ccccc2CNC(=O)C(F)(F)F)c2c1CCN(c1ccc(-c3ccccc3S(N)(=O)=O)cc1)C2=O
• InChI: InChI=1S/C28H24F3N5O4S/c1-17-21-14-15-35(20-12-10-18(11-13-20)22-7-3-5-9-24(22)41(32,39)40)26(37)25(21)36(34-17)23-8-4-2-6-19(23)16-33-27(38)28(29,30)31/h2-13H,14-16H2,1H3,(H,33,38)(H2,32,39,40)
• InChIKey: MKMJONBPCHOZKG-UHFFFAOYSA-N
• XLogP: 3.88
• TPSA: 127.39 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	583.59
LogP ≤ 5	3.88
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[[2-[3-methyl-7-oxo-6-[4-(2-sulfamoylphenyl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]phenyl]methyl]acetamide?

The IUPAC name of 2,2,2-trifluoro-N-[[2-[3-methyl-7-oxo-6-[4-(2-sulfamoylphenyl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]phenyl]methyl]acetamide (CID 20760181) is 2,2,2-trifluoro-N-[[2-[3-methyl-7-oxo-6-[4-(2-sulfamoylphenyl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]phenyl]methyl]acetamide.

What is the SMILES notation for 2,2,2-trifluoro-N-[[2-[3-methyl-7-oxo-6-[4-(2-sulfamoylphenyl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]phenyl]methyl]acetamide?

The canonical SMILES for 2,2,2-trifluoro-N-[[2-[3-methyl-7-oxo-6-[4-(2-sulfamoylphenyl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]phenyl]methyl]acetamide is Cc1nn(-c2ccccc2CNC(=O)C(F)(F)F)c2c1CCN(c1ccc(-c3ccccc3S(N)(=O)=O)cc1)C2=O.

What is the InChIKey of 2,2,2-trifluoro-N-[[2-[3-methyl-7-oxo-6-[4-(2-sulfamoylphenyl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]phenyl]methyl]acetamide?

The InChIKey is MKMJONBPCHOZKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24F3N5O4S/c1-17-21-14-15-35(20-12-10-18(11-13-20)22-7-3-5-9-24(22)41(32,39)40)26(37)25(21)36(34-17)23-8-4-2-6-19(23)16-33-27(38)28(29,30)31/h2-13H,14-16H2,1H3,(H,33,38)(H2,32,39,40).

What are the key properties of 2,2,2-trifluoro-N-[[2-[3-methyl-7-oxo-6-[4-(2-sulfamoylphenyl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]phenyl]methyl]acetamide?

2,2,2-trifluoro-N-[[2-[3-methyl-7-oxo-6-[4-(2-sulfamoylphenyl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]phenyl]methyl]acetamide has a molecular weight of 583.59 g/mol, XLogP of 3.88, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2,2,2-trifluoro-N-[[2-[3-methyl-7-oxo-6-[4-(2-sulfamoylphenyl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]phenyl]methyl]acetamide is sourced from PubChem (CID 20760181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).