N-[2,4-difluoro-3-[7-fluoro-3-(1H-imidazol-2-yl)-2H-pyrazolo[4,3-c]pyridin-6-yl]phenyl]-5-fluoro-2-methylbenzenesulfonamide

C22H14F4N6O2S — CID 155193320

About N-[2,4-difluoro-3-[7-fluoro-3-(1H-imidazol-2-yl)-2H-pyrazolo[4,3-c]pyridin-6-yl]phenyl]-5-fluoro-2-methylbenzenesulfonamide

N-[2,4-difluoro-3-[7-fluoro-3-(1H-imidazol-2-yl)-2H-pyrazolo[4,3-c]pyridin-6-yl]phenyl]-5-fluoro-2-methylbenzenesulfonamide (PubChem CID 155193320) has the molecular formula C22H14F4N6O2S and a molecular weight of 502.45 g/mol. Its IUPAC name is N-[2,4-difluoro-3-[7-fluoro-3-(1H-imidazol-2-yl)-2H-pyrazolo[4,3-c]pyridin-6-yl]phenyl]-5-fluoro-2-methylbenzenesulfonamide.

Molecular Properties

• Compound Name: N-[2,4-difluoro-3-[7-fluoro-3-(1H-imidazol-2-yl)-2H-pyrazolo[4,3-c]pyridin-6-yl]phenyl]-5-fluoro-2-methylbenzenesulfonamide
• PubChem CID: 155193320
• Molecular Formula: C22H14F4N6O2S
• Molecular Weight: 502.45 g/mol
• Exact Mass: 502.08
• IUPAC Name: N-[2,4-difluoro-3-[7-fluoro-3-(1H-imidazol-2-yl)-2H-pyrazolo[4,3-c]pyridin-6-yl]phenyl]-5-fluoro-2-methylbenzenesulfonamide
• SMILES: Cc1ccc(F)cc1S(=O)(=O)Nc1ccc(F)c(-c2ncc3c(-c4ncc[nH]4)[nH]nc3c2F)c1F
• InChI: InChI=1S/C22H14F4N6O2S/c1-10-2-3-11(23)8-15(10)35(33,34)32-14-5-4-13(24)16(17(14)25)21-18(26)19-12(9-29-21)20(31-30-19)22-27-6-7-28-22/h2-9,32H,1H3,(H,27,28)(H,30,31)
• InChIKey: WPZGZDIJLHXWJS-UHFFFAOYSA-N
• XLogP: 4.68
• TPSA: 116.42 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	502.45
LogP ≤ 5	4.68
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[2,4-difluoro-3-[7-fluoro-3-(1H-imidazol-2-yl)-2H-pyrazolo[4,3-c]pyridin-6-yl]phenyl]-5-fluoro-2-methylbenzenesulfonamide?

The IUPAC name of N-[2,4-difluoro-3-[7-fluoro-3-(1H-imidazol-2-yl)-2H-pyrazolo[4,3-c]pyridin-6-yl]phenyl]-5-fluoro-2-methylbenzenesulfonamide (CID 155193320) is N-[2,4-difluoro-3-[7-fluoro-3-(1H-imidazol-2-yl)-2H-pyrazolo[4,3-c]pyridin-6-yl]phenyl]-5-fluoro-2-methylbenzenesulfonamide.

What is the SMILES notation for N-[2,4-difluoro-3-[7-fluoro-3-(1H-imidazol-2-yl)-2H-pyrazolo[4,3-c]pyridin-6-yl]phenyl]-5-fluoro-2-methylbenzenesulfonamide?

The canonical SMILES for N-[2,4-difluoro-3-[7-fluoro-3-(1H-imidazol-2-yl)-2H-pyrazolo[4,3-c]pyridin-6-yl]phenyl]-5-fluoro-2-methylbenzenesulfonamide is Cc1ccc(F)cc1S(=O)(=O)Nc1ccc(F)c(-c2ncc3c(-c4ncc[nH]4)[nH]nc3c2F)c1F.

What is the InChIKey of N-[2,4-difluoro-3-[7-fluoro-3-(1H-imidazol-2-yl)-2H-pyrazolo[4,3-c]pyridin-6-yl]phenyl]-5-fluoro-2-methylbenzenesulfonamide?

The InChIKey is WPZGZDIJLHXWJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14F4N6O2S/c1-10-2-3-11(23)8-15(10)35(33,34)32-14-5-4-13(24)16(17(14)25)21-18(26)19-12(9-29-21)20(31-30-19)22-27-6-7-28-22/h2-9,32H,1H3,(H,27,28)(H,30,31).

What are the key properties of N-[2,4-difluoro-3-[7-fluoro-3-(1H-imidazol-2-yl)-2H-pyrazolo[4,3-c]pyridin-6-yl]phenyl]-5-fluoro-2-methylbenzenesulfonamide?

N-[2,4-difluoro-3-[7-fluoro-3-(1H-imidazol-2-yl)-2H-pyrazolo[4,3-c]pyridin-6-yl]phenyl]-5-fluoro-2-methylbenzenesulfonamide has a molecular weight of 502.45 g/mol, XLogP of 4.68, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2,4-difluoro-3-[7-fluoro-3-(1H-imidazol-2-yl)-2H-pyrazolo[4,3-c]pyridin-6-yl]phenyl]-5-fluoro-2-methylbenzenesulfonamide is sourced from PubChem (CID 155193320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).