4-[3-fluoro-5-(2-methylsulfonylethyl)phenyl]-2-[5-(4-methyl-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine

C28H23FN6O2S — CID 147325254

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

4-[3-fluoro-5-(2-methylsulfonylethyl)phenyl]-2-[5-(4-methyl-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine (PubChem CID 147325254) has the molecular formula C28H23FN6O2S and a molecular weight of 526.60 g/mol. Its IUPAC name is 4-[3-fluoro-5-(2-methylsulfonylethyl)phenyl]-2-[5-(4-methyl-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine.

Molecular Properties

• Compound Name: 4-[3-fluoro-5-(2-methylsulfonylethyl)phenyl]-2-[5-(4-methyl-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine
• PubChem CID: 147325254
• Molecular Formula: C28H23FN6O2S
• Molecular Weight: 526.60 g/mol
• Exact Mass: 526.16
• IUPAC Name: 4-[3-fluoro-5-(2-methylsulfonylethyl)phenyl]-2-[5-(4-methyl-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine
• SMILES: Cc1ccncc1-c1ccc2[nH]nc(-c3nc4c(-c5cc(F)cc(CCS(C)(=O)=O)c5)nccc4[nH]3)c2c1
• InChI: InChI=1S/C28H23FN6O2S/c1-16-5-8-30-15-22(16)18-3-4-23-21(14-18)26(35-34-23)28-32-24-6-9-31-25(27(24)33-28)19-11-17(12-20(29)13-19)7-10-38(2,36)37/h3-6,8-9,11-15H,7,10H2,1-2H3,(H,32,33)(H,34,35)
• InChIKey: DAOYQBSKQORGIY-UHFFFAOYSA-N
• XLogP: 5.26
• TPSA: 117.28 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	526.60
LogP ≤ 5	5.26
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 4-[3-fluoro-5-(2-methylsulfonylethyl)phenyl]-2-[5-(4-methyl-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine (CID 147325254) is 4-[3-fluoro-5-(2-methylsulfonylethyl)phenyl]-2-[5-(4-methyl-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine.

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

The canonical SMILES for 4-[3-fluoro-5-(2-methylsulfonylethyl)phenyl]-2-[5-(4-methyl-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine is Cc1ccncc1-c1ccc2[nH]nc(-c3nc4c(-c5cc(F)cc(CCS(C)(=O)=O)c5)nccc4[nH]3)c2c1.

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

The InChIKey is DAOYQBSKQORGIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23FN6O2S/c1-16-5-8-30-15-22(16)18-3-4-23-21(14-18)26(35-34-23)28-32-24-6-9-31-25(27(24)33-28)19-11-17(12-20(29)13-19)7-10-38(2,36)37/h3-6,8-9,11-15H,7,10H2,1-2H3,(H,32,33)(H,34,35).

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

4-[3-fluoro-5-(2-methylsulfonylethyl)phenyl]-2-[5-(4-methyl-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine has a molecular weight of 526.60 g/mol, XLogP of 5.26, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[3-fluoro-5-(2-methylsulfonylethyl)phenyl]-2-[5-(4-methyl-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine is sourced from PubChem (CID 147325254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).