4-[3-fluoro-5-(2-methylsulfonylethyl)phenyl]-2-(5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-1H-imidazo[4,5-c]pyridine

C26H20FN7O2S — CID 159182817

About 4-[3-fluoro-5-(2-methylsulfonylethyl)phenyl]-2-(5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-1H-imidazo[4,5-c]pyridine

4-[3-fluoro-5-(2-methylsulfonylethyl)phenyl]-2-(5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-1H-imidazo[4,5-c]pyridine (PubChem CID 159182817) has the molecular formula C26H20FN7O2S and a molecular weight of 513.56 g/mol. Its IUPAC name is 4-[3-fluoro-5-(2-methylsulfonylethyl)phenyl]-2-(5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-1H-imidazo[4,5-c]pyridine.

Molecular Properties

• Compound Name: 4-[3-fluoro-5-(2-methylsulfonylethyl)phenyl]-2-(5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-1H-imidazo[4,5-c]pyridine
• PubChem CID: 159182817
• Molecular Formula: C26H20FN7O2S
• Molecular Weight: 513.56 g/mol
• Exact Mass: 513.14
• IUPAC Name: 4-[3-fluoro-5-(2-methylsulfonylethyl)phenyl]-2-(5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-1H-imidazo[4,5-c]pyridine
• SMILES: CS(=O)(=O)CCc1cc(F)cc(-c2nccc3[nH]c(-c4n[nH]c5cnc(-c6cccnc6)cc45)nc23)c1
• InChI: InChI=1S/C26H20FN7O2S/c1-37(35,36)8-5-15-9-17(11-18(27)10-15)23-25-20(4-7-29-23)31-26(32-25)24-19-12-21(16-3-2-6-28-13-16)30-14-22(19)33-34-24/h2-4,6-7,9-14H,5,8H2,1H3,(H,31,32)(H,33,34)
• InChIKey: KNCPHYCEKVZQSS-UHFFFAOYSA-N
• XLogP: 4.35
• TPSA: 130.17 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	513.56
LogP ≤ 5	4.35
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-[3-fluoro-5-(2-methylsulfonylethyl)phenyl]-2-(5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-1H-imidazo[4,5-c]pyridine?

The IUPAC name of 4-[3-fluoro-5-(2-methylsulfonylethyl)phenyl]-2-(5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-1H-imidazo[4,5-c]pyridine (CID 159182817) is 4-[3-fluoro-5-(2-methylsulfonylethyl)phenyl]-2-(5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-1H-imidazo[4,5-c]pyridine.

What is the SMILES notation for 4-[3-fluoro-5-(2-methylsulfonylethyl)phenyl]-2-(5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-1H-imidazo[4,5-c]pyridine?

The canonical SMILES for 4-[3-fluoro-5-(2-methylsulfonylethyl)phenyl]-2-(5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-1H-imidazo[4,5-c]pyridine is CS(=O)(=O)CCc1cc(F)cc(-c2nccc3[nH]c(-c4n[nH]c5cnc(-c6cccnc6)cc45)nc23)c1.

What is the InChIKey of 4-[3-fluoro-5-(2-methylsulfonylethyl)phenyl]-2-(5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-1H-imidazo[4,5-c]pyridine?

The InChIKey is KNCPHYCEKVZQSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20FN7O2S/c1-37(35,36)8-5-15-9-17(11-18(27)10-15)23-25-20(4-7-29-23)31-26(32-25)24-19-12-21(16-3-2-6-28-13-16)30-14-22(19)33-34-24/h2-4,6-7,9-14H,5,8H2,1H3,(H,31,32)(H,33,34).

What are the key properties of 4-[3-fluoro-5-(2-methylsulfonylethyl)phenyl]-2-(5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-1H-imidazo[4,5-c]pyridine?

4-[3-fluoro-5-(2-methylsulfonylethyl)phenyl]-2-(5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-1H-imidazo[4,5-c]pyridine has a molecular weight of 513.56 g/mol, XLogP of 4.35, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[3-fluoro-5-(2-methylsulfonylethyl)phenyl]-2-(5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-1H-imidazo[4,5-c]pyridine is sourced from PubChem (CID 159182817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).