5-[6-fluoro-3-[7-(furan-3-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]pyridin-3-amine

C22H14FN7O — CID 137134949

About 5-[6-fluoro-3-[7-(furan-3-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]pyridin-3-amine

5-[6-fluoro-3-[7-(furan-3-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]pyridin-3-amine (PubChem CID 137134949) has the molecular formula C22H14FN7O and a molecular weight of 411.40 g/mol. Its IUPAC name is 5-[6-fluoro-3-[7-(furan-3-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]pyridin-3-amine.

Molecular Properties

• Compound Name: 5-[6-fluoro-3-[7-(furan-3-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]pyridin-3-amine
• PubChem CID: 137134949
• Molecular Formula: C22H14FN7O
• Molecular Weight: 411.40 g/mol
• Exact Mass: 411.12
• IUPAC Name: 5-[6-fluoro-3-[7-(furan-3-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]pyridin-3-amine
• SMILES: Nc1cncc(-c2cc3c(-c4nc5nccc(-c6ccoc6)c5[nH]4)n[nH]c3cc2F)c1
• InChI: InChI=1S/C22H14FN7O/c23-17-7-18-16(6-15(17)12-5-13(24)9-25-8-12)20(30-29-18)22-27-19-14(11-2-4-31-10-11)1-3-26-21(19)28-22/h1-10H,24H2,(H,29,30)(H,26,27,28)
• InChIKey: MIVBOZWRLUNOSC-UHFFFAOYSA-N
• XLogP: 4.54
• TPSA: 122.30 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	411.40
LogP ≤ 5	4.54
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-[6-fluoro-3-[7-(furan-3-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]pyridin-3-amine?

The IUPAC name of 5-[6-fluoro-3-[7-(furan-3-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]pyridin-3-amine (CID 137134949) is 5-[6-fluoro-3-[7-(furan-3-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]pyridin-3-amine.

What is the SMILES notation for 5-[6-fluoro-3-[7-(furan-3-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]pyridin-3-amine?

The canonical SMILES for 5-[6-fluoro-3-[7-(furan-3-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]pyridin-3-amine is Nc1cncc(-c2cc3c(-c4nc5nccc(-c6ccoc6)c5[nH]4)n[nH]c3cc2F)c1.

What is the InChIKey of 5-[6-fluoro-3-[7-(furan-3-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]pyridin-3-amine?

The InChIKey is MIVBOZWRLUNOSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14FN7O/c23-17-7-18-16(6-15(17)12-5-13(24)9-25-8-12)20(30-29-18)22-27-19-14(11-2-4-31-10-11)1-3-26-21(19)28-22/h1-10H,24H2,(H,29,30)(H,26,27,28).

What are the key properties of 5-[6-fluoro-3-[7-(furan-3-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]pyridin-3-amine?

5-[6-fluoro-3-[7-(furan-3-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]pyridin-3-amine has a molecular weight of 411.40 g/mol, XLogP of 4.54, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[6-fluoro-3-[7-(furan-3-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]pyridin-3-amine is sourced from PubChem (CID 137134949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).