5-[3-[7-[3-fluoro-5-(2-methylsulfonylethyl)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]pyridin-3-amine

C27H22FN7O2S — CID 148771369

About 5-[3-[7-[3-fluoro-5-(2-methylsulfonylethyl)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]pyridin-3-amine

5-[3-[7-[3-fluoro-5-(2-methylsulfonylethyl)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]pyridin-3-amine (PubChem CID 148771369) has the molecular formula C27H22FN7O2S and a molecular weight of 527.59 g/mol. Its IUPAC name is 5-[3-[7-[3-fluoro-5-(2-methylsulfonylethyl)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]pyridin-3-amine.

Molecular Properties

• Compound Name: 5-[3-[7-[3-fluoro-5-(2-methylsulfonylethyl)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]pyridin-3-amine
• PubChem CID: 148771369
• Molecular Formula: C27H22FN7O2S
• Molecular Weight: 527.59 g/mol
• Exact Mass: 527.15
• IUPAC Name: 5-[3-[7-[3-fluoro-5-(2-methylsulfonylethyl)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]pyridin-3-amine
• SMILES: CS(=O)(=O)CCc1cc(F)cc(-c2ccnc3nc(-c4n[nH]c5ccc(-c6cncc(N)c6)cc45)[nH]c23)c1
• InChI: InChI=1S/C27H22FN7O2S/c1-38(36,37)7-5-15-8-17(10-19(28)9-15)21-4-6-31-26-24(21)32-27(33-26)25-22-12-16(2-3-23(22)34-35-25)18-11-20(29)14-30-13-18/h2-4,6,8-14H,5,7,29H2,1H3,(H,34,35)(H,31,32,33)
• InChIKey: OILZEHNGLODQEH-UHFFFAOYSA-N
• XLogP: 4.54
• TPSA: 143.30 Ų
• H-Bond Donors: 3
• 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	4.54
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 5-[3-[7-[3-fluoro-5-(2-methylsulfonylethyl)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]pyridin-3-amine (CID 148771369) is 5-[3-[7-[3-fluoro-5-(2-methylsulfonylethyl)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]pyridin-3-amine.

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

The canonical SMILES for 5-[3-[7-[3-fluoro-5-(2-methylsulfonylethyl)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]pyridin-3-amine is CS(=O)(=O)CCc1cc(F)cc(-c2ccnc3nc(-c4n[nH]c5ccc(-c6cncc(N)c6)cc45)[nH]c23)c1.

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

The InChIKey is OILZEHNGLODQEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22FN7O2S/c1-38(36,37)7-5-15-8-17(10-19(28)9-15)21-4-6-31-26-24(21)32-27(33-26)25-22-12-16(2-3-23(22)34-35-25)18-11-20(29)14-30-13-18/h2-4,6,8-14H,5,7,29H2,1H3,(H,34,35)(H,31,32,33).

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

5-[3-[7-[3-fluoro-5-(2-methylsulfonylethyl)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]pyridin-3-amine has a molecular weight of 527.59 g/mol, XLogP of 4.54, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[3-[7-[3-fluoro-5-(2-methylsulfonylethyl)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]pyridin-3-amine is sourced from PubChem (CID 148771369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).