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

C22H13F2N7S — CID 137134571

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

5-[7-fluoro-3-[7-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-2H-indazol-5-yl]pyridin-3-amine (PubChem CID 137134571) has the molecular formula C22H13F2N7S and a molecular weight of 445.46 g/mol. Its IUPAC name is 5-[7-fluoro-3-[7-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-2H-indazol-5-yl]pyridin-3-amine.

Molecular Properties

• Compound Name: 5-[7-fluoro-3-[7-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-2H-indazol-5-yl]pyridin-3-amine
• PubChem CID: 137134571
• Molecular Formula: C22H13F2N7S
• Molecular Weight: 445.46 g/mol
• Exact Mass: 445.09
• IUPAC Name: 5-[7-fluoro-3-[7-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-2H-indazol-5-yl]pyridin-3-amine
• SMILES: Nc1cncc(-c2cc(F)c3n[nH]c(-c4nc5nccc(-c6ccc(F)s6)c5[nH]4)c3c2)c1
• InChI: InChI=1S/C22H13F2N7S/c23-15-7-10(11-5-12(25)9-26-8-11)6-14-18(15)30-31-20(14)22-28-19-13(3-4-27-21(19)29-22)16-1-2-17(24)32-16/h1-9H,25H2,(H,30,31)(H,27,28,29)
• InChIKey: KKGFIRAKLJXPOO-UHFFFAOYSA-N
• XLogP: 5.15
• TPSA: 109.16 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	445.46
LogP ≤ 5	5.15
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 5-[7-fluoro-3-[7-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-2H-indazol-5-yl]pyridin-3-amine (CID 137134571) is 5-[7-fluoro-3-[7-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-2H-indazol-5-yl]pyridin-3-amine.

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

The canonical SMILES for 5-[7-fluoro-3-[7-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-2H-indazol-5-yl]pyridin-3-amine is Nc1cncc(-c2cc(F)c3n[nH]c(-c4nc5nccc(-c6ccc(F)s6)c5[nH]4)c3c2)c1.

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

The InChIKey is KKGFIRAKLJXPOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H13F2N7S/c23-15-7-10(11-5-12(25)9-26-8-11)6-14-18(15)30-31-20(14)22-28-19-13(3-4-27-21(19)29-22)16-1-2-17(24)32-16/h1-9H,25H2,(H,30,31)(H,27,28,29).

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

5-[7-fluoro-3-[7-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-2H-indazol-5-yl]pyridin-3-amine has a molecular weight of 445.46 g/mol, XLogP of 5.15, 3 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-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-2H-indazol-5-yl]pyridin-3-amine is sourced from PubChem (CID 137134571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).