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

C20H17FN8 — CID 137056560

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

5-[4-fluoro-3-(1H-imidazo[4,5-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-N-propan-2-ylpyridin-3-amine (PubChem CID 137056560) has the molecular formula C20H17FN8 and a molecular weight of 388.41 g/mol. Its IUPAC name is 5-[4-fluoro-3-(1H-imidazo[4,5-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-N-propan-2-ylpyridin-3-amine.

Molecular Properties

• Compound Name: 5-[4-fluoro-3-(1H-imidazo[4,5-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-N-propan-2-ylpyridin-3-amine
• PubChem CID: 137056560
• Molecular Formula: C20H17FN8
• Molecular Weight: 388.41 g/mol
• Exact Mass: 388.16
• IUPAC Name: 5-[4-fluoro-3-(1H-imidazo[4,5-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-N-propan-2-ylpyridin-3-amine
• SMILES: CC(C)Nc1cncc(-c2cnc3n[nH]c(-c4nc5ncccc5[nH]4)c3c2F)c1
• InChI: InChI=1S/C20H17FN8/c1-10(2)25-12-6-11(7-22-8-12)13-9-24-19-15(16(13)21)17(28-29-19)20-26-14-4-3-5-23-18(14)27-20/h3-10,25H,1-2H3,(H,23,26,27)(H,24,28,29)
• InChIKey: PRTMYUVAJSRZPG-UHFFFAOYSA-N
• XLogP: 3.92
• TPSA: 108.06 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	388.41
LogP ≤ 5	3.92
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 5-[4-fluoro-3-(1H-imidazo[4,5-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-N-propan-2-ylpyridin-3-amine (CID 137056560) is 5-[4-fluoro-3-(1H-imidazo[4,5-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-N-propan-2-ylpyridin-3-amine.

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

The canonical SMILES for 5-[4-fluoro-3-(1H-imidazo[4,5-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-N-propan-2-ylpyridin-3-amine is CC(C)Nc1cncc(-c2cnc3n[nH]c(-c4nc5ncccc5[nH]4)c3c2F)c1.

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

The InChIKey is PRTMYUVAJSRZPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN8/c1-10(2)25-12-6-11(7-22-8-12)13-9-24-19-15(16(13)21)17(28-29-19)20-26-14-4-3-5-23-18(14)27-20/h3-10,25H,1-2H3,(H,23,26,27)(H,24,28,29).

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

5-[4-fluoro-3-(1H-imidazo[4,5-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-N-propan-2-ylpyridin-3-amine has a molecular weight of 388.41 g/mol, XLogP of 3.92, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-fluoro-3-(1H-imidazo[4,5-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-N-propan-2-ylpyridin-3-amine is sourced from PubChem (CID 137056560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).