4-[3-fluoro-5-(2-methylsulfonylethyl)phenyl]-2-(7-fluoro-5-pyrimidin-5-yl-2H-indazol-3-yl)-1H-imidazo[4,5-c]pyridine

C26H19F2N7O2S — CID 147264440

About 4-[3-fluoro-5-(2-methylsulfonylethyl)phenyl]-2-(7-fluoro-5-pyrimidin-5-yl-2H-indazol-3-yl)-1H-imidazo[4,5-c]pyridine

4-[3-fluoro-5-(2-methylsulfonylethyl)phenyl]-2-(7-fluoro-5-pyrimidin-5-yl-2H-indazol-3-yl)-1H-imidazo[4,5-c]pyridine (PubChem CID 147264440) has the molecular formula C26H19F2N7O2S and a molecular weight of 531.55 g/mol. Its IUPAC name is 4-[3-fluoro-5-(2-methylsulfonylethyl)phenyl]-2-(7-fluoro-5-pyrimidin-5-yl-2H-indazol-3-yl)-1H-imidazo[4,5-c]pyridine.

Molecular Properties

• Compound Name: 4-[3-fluoro-5-(2-methylsulfonylethyl)phenyl]-2-(7-fluoro-5-pyrimidin-5-yl-2H-indazol-3-yl)-1H-imidazo[4,5-c]pyridine
• PubChem CID: 147264440
• Molecular Formula: C26H19F2N7O2S
• Molecular Weight: 531.55 g/mol
• Exact Mass: 531.13
• IUPAC Name: 4-[3-fluoro-5-(2-methylsulfonylethyl)phenyl]-2-(7-fluoro-5-pyrimidin-5-yl-2H-indazol-3-yl)-1H-imidazo[4,5-c]pyridine
• SMILES: CS(=O)(=O)CCc1cc(F)cc(-c2nccc3[nH]c(-c4[nH]nc5c(F)cc(-c6cncnc6)cc45)nc23)c1
• InChI: InChI=1S/C26H19F2N7O2S/c1-38(36,37)5-3-14-6-16(8-18(27)7-14)22-25-21(2-4-31-22)32-26(33-25)24-19-9-15(17-11-29-13-30-12-17)10-20(28)23(19)34-35-24/h2,4,6-13H,3,5H2,1H3,(H,32,33)(H,34,35)
• InChIKey: CPEZVLVWGOVWRC-UHFFFAOYSA-N
• XLogP: 4.49
• TPSA: 130.17 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	531.55
LogP ≤ 5	4.49
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-(7-fluoro-5-pyrimidin-5-yl-2H-indazol-3-yl)-1H-imidazo[4,5-c]pyridine?

The IUPAC name of 4-[3-fluoro-5-(2-methylsulfonylethyl)phenyl]-2-(7-fluoro-5-pyrimidin-5-yl-2H-indazol-3-yl)-1H-imidazo[4,5-c]pyridine (CID 147264440) is 4-[3-fluoro-5-(2-methylsulfonylethyl)phenyl]-2-(7-fluoro-5-pyrimidin-5-yl-2H-indazol-3-yl)-1H-imidazo[4,5-c]pyridine.

What is the SMILES notation for 4-[3-fluoro-5-(2-methylsulfonylethyl)phenyl]-2-(7-fluoro-5-pyrimidin-5-yl-2H-indazol-3-yl)-1H-imidazo[4,5-c]pyridine?

The canonical SMILES for 4-[3-fluoro-5-(2-methylsulfonylethyl)phenyl]-2-(7-fluoro-5-pyrimidin-5-yl-2H-indazol-3-yl)-1H-imidazo[4,5-c]pyridine is CS(=O)(=O)CCc1cc(F)cc(-c2nccc3[nH]c(-c4[nH]nc5c(F)cc(-c6cncnc6)cc45)nc23)c1.

What is the InChIKey of 4-[3-fluoro-5-(2-methylsulfonylethyl)phenyl]-2-(7-fluoro-5-pyrimidin-5-yl-2H-indazol-3-yl)-1H-imidazo[4,5-c]pyridine?

The InChIKey is CPEZVLVWGOVWRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19F2N7O2S/c1-38(36,37)5-3-14-6-16(8-18(27)7-14)22-25-21(2-4-31-22)32-26(33-25)24-19-9-15(17-11-29-13-30-12-17)10-20(28)23(19)34-35-24/h2,4,6-13H,3,5H2,1H3,(H,32,33)(H,34,35).

What are the key properties of 4-[3-fluoro-5-(2-methylsulfonylethyl)phenyl]-2-(7-fluoro-5-pyrimidin-5-yl-2H-indazol-3-yl)-1H-imidazo[4,5-c]pyridine?

4-[3-fluoro-5-(2-methylsulfonylethyl)phenyl]-2-(7-fluoro-5-pyrimidin-5-yl-2H-indazol-3-yl)-1H-imidazo[4,5-c]pyridine has a molecular weight of 531.55 g/mol, XLogP of 4.49, 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-(7-fluoro-5-pyrimidin-5-yl-2H-indazol-3-yl)-1H-imidazo[4,5-c]pyridine is sourced from PubChem (CID 147264440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).