3-[7-[3-fluoro-5-(2-methylsulfonylethyl)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-5-(4-methyl-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridine

C27H22FN7O2S — CID 160908311

About 3-[7-[3-fluoro-5-(2-methylsulfonylethyl)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-5-(4-methyl-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridine

3-[7-[3-fluoro-5-(2-methylsulfonylethyl)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-5-(4-methyl-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridine (PubChem CID 160908311) has the molecular formula C27H22FN7O2S and a molecular weight of 527.59 g/mol. Its IUPAC name is 3-[7-[3-fluoro-5-(2-methylsulfonylethyl)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-5-(4-methyl-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridine.

Molecular Properties

• Compound Name: 3-[7-[3-fluoro-5-(2-methylsulfonylethyl)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-5-(4-methyl-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridine
• PubChem CID: 160908311
• Molecular Formula: C27H22FN7O2S
• Molecular Weight: 527.59 g/mol
• Exact Mass: 527.15
• IUPAC Name: 3-[7-[3-fluoro-5-(2-methylsulfonylethyl)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-5-(4-methyl-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridine
• SMILES: Cc1ccncc1-c1ccc2[nH]nc(-c3nc4nccc(-c5cc(F)cc(CCS(C)(=O)=O)c5)c4[nH]3)c2n1
• InChI: InChI=1S/C27H22FN7O2S/c1-15-5-8-29-14-20(15)21-3-4-22-24(31-21)25(35-34-22)27-32-23-19(6-9-30-26(23)33-27)17-11-16(12-18(28)13-17)7-10-38(2,36)37/h3-6,8-9,11-14H,7,10H2,1-2H3,(H,34,35)(H,30,32,33)
• InChIKey: SQKZWTUMFQGOHS-UHFFFAOYSA-N
• XLogP: 4.66
• 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	527.59
LogP ≤ 5	4.66
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-[7-[3-fluoro-5-(2-methylsulfonylethyl)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-5-(4-methyl-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridine?

The IUPAC name of 3-[7-[3-fluoro-5-(2-methylsulfonylethyl)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-5-(4-methyl-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridine (CID 160908311) is 3-[7-[3-fluoro-5-(2-methylsulfonylethyl)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-5-(4-methyl-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridine.

What is the SMILES notation for 3-[7-[3-fluoro-5-(2-methylsulfonylethyl)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-5-(4-methyl-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridine?

The canonical SMILES for 3-[7-[3-fluoro-5-(2-methylsulfonylethyl)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-5-(4-methyl-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridine is Cc1ccncc1-c1ccc2[nH]nc(-c3nc4nccc(-c5cc(F)cc(CCS(C)(=O)=O)c5)c4[nH]3)c2n1.

What is the InChIKey of 3-[7-[3-fluoro-5-(2-methylsulfonylethyl)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-5-(4-methyl-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridine?

The InChIKey is SQKZWTUMFQGOHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22FN7O2S/c1-15-5-8-29-14-20(15)21-3-4-22-24(31-21)25(35-34-22)27-32-23-19(6-9-30-26(23)33-27)17-11-16(12-18(28)13-17)7-10-38(2,36)37/h3-6,8-9,11-14H,7,10H2,1-2H3,(H,34,35)(H,30,32,33).

What are the key properties of 3-[7-[3-fluoro-5-(2-methylsulfonylethyl)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-5-(4-methyl-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridine?

3-[7-[3-fluoro-5-(2-methylsulfonylethyl)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-5-(4-methyl-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridine has a molecular weight of 527.59 g/mol, XLogP of 4.66, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[7-[3-fluoro-5-(2-methylsulfonylethyl)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-5-(4-methyl-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridine is sourced from PubChem (CID 160908311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).