5-[7-fluoro-3-(7-thiophen-2-yl-1H-imidazo[4,5-b]pyridin-2-yl)-2H-indazol-5-yl]-N-propan-2-ylpyridin-3-amine

C25H20FN7S — CID 137134544

About 5-[7-fluoro-3-(7-thiophen-2-yl-1H-imidazo[4,5-b]pyridin-2-yl)-2H-indazol-5-yl]-N-propan-2-ylpyridin-3-amine

5-[7-fluoro-3-(7-thiophen-2-yl-1H-imidazo[4,5-b]pyridin-2-yl)-2H-indazol-5-yl]-N-propan-2-ylpyridin-3-amine (PubChem CID 137134544) has the molecular formula C25H20FN7S and a molecular weight of 469.55 g/mol. Its IUPAC name is 5-[7-fluoro-3-(7-thiophen-2-yl-1H-imidazo[4,5-b]pyridin-2-yl)-2H-indazol-5-yl]-N-propan-2-ylpyridin-3-amine.

Molecular Properties

• Compound Name: 5-[7-fluoro-3-(7-thiophen-2-yl-1H-imidazo[4,5-b]pyridin-2-yl)-2H-indazol-5-yl]-N-propan-2-ylpyridin-3-amine
• PubChem CID: 137134544
• Molecular Formula: C25H20FN7S
• Molecular Weight: 469.55 g/mol
• Exact Mass: 469.15
• IUPAC Name: 5-[7-fluoro-3-(7-thiophen-2-yl-1H-imidazo[4,5-b]pyridin-2-yl)-2H-indazol-5-yl]-N-propan-2-ylpyridin-3-amine
• SMILES: CC(C)Nc1cncc(-c2cc(F)c3n[nH]c(-c4nc5nccc(-c6cccs6)c5[nH]4)c3c2)c1
• InChI: InChI=1S/C25H20FN7S/c1-13(2)29-16-8-15(11-27-12-16)14-9-18-21(19(26)10-14)32-33-23(18)25-30-22-17(20-4-3-7-34-20)5-6-28-24(22)31-25/h3-13,29H,1-2H3,(H,32,33)(H,28,30,31)
• InChIKey: AFMIMNZVTOHYBU-UHFFFAOYSA-N
• XLogP: 6.25
• TPSA: 95.17 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	469.55
LogP ≤ 5	6.25
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 5-[7-fluoro-3-(7-thiophen-2-yl-1H-imidazo[4,5-b]pyridin-2-yl)-2H-indazol-5-yl]-N-propan-2-ylpyridin-3-amine (CID 137134544) is 5-[7-fluoro-3-(7-thiophen-2-yl-1H-imidazo[4,5-b]pyridin-2-yl)-2H-indazol-5-yl]-N-propan-2-ylpyridin-3-amine.

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

The canonical SMILES for 5-[7-fluoro-3-(7-thiophen-2-yl-1H-imidazo[4,5-b]pyridin-2-yl)-2H-indazol-5-yl]-N-propan-2-ylpyridin-3-amine is CC(C)Nc1cncc(-c2cc(F)c3n[nH]c(-c4nc5nccc(-c6cccs6)c5[nH]4)c3c2)c1.

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

The InChIKey is AFMIMNZVTOHYBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20FN7S/c1-13(2)29-16-8-15(11-27-12-16)14-9-18-21(19(26)10-14)32-33-23(18)25-30-22-17(20-4-3-7-34-20)5-6-28-24(22)31-25/h3-13,29H,1-2H3,(H,32,33)(H,28,30,31).

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

5-[7-fluoro-3-(7-thiophen-2-yl-1H-imidazo[4,5-b]pyridin-2-yl)-2H-indazol-5-yl]-N-propan-2-ylpyridin-3-amine has a molecular weight of 469.55 g/mol, XLogP of 6.25, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[7-fluoro-3-(7-thiophen-2-yl-1H-imidazo[4,5-b]pyridin-2-yl)-2H-indazol-5-yl]-N-propan-2-ylpyridin-3-amine is sourced from PubChem (CID 137134544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).