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

C26H27FN8 — CID 137134829

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

5-[6-fluoro-3-(7-piperidin-1-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-indazol-5-yl]-N-propan-2-ylpyridin-3-amine (PubChem CID 137134829) has the molecular formula C26H27FN8 and a molecular weight of 470.56 g/mol. Its IUPAC name is 5-[6-fluoro-3-(7-piperidin-1-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-indazol-5-yl]-N-propan-2-ylpyridin-3-amine.

Molecular Properties

• Compound Name: 5-[6-fluoro-3-(7-piperidin-1-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-indazol-5-yl]-N-propan-2-ylpyridin-3-amine
• PubChem CID: 137134829
• Molecular Formula: C26H27FN8
• Molecular Weight: 470.56 g/mol
• Exact Mass: 470.23
• IUPAC Name: 5-[6-fluoro-3-(7-piperidin-1-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-indazol-5-yl]-N-propan-2-ylpyridin-3-amine
• SMILES: CC(C)Nc1cncc(-c2cc3c(-c4nc5nccc(N6CCCCC6)c5[nH]4)n[nH]c3cc2F)c1
• InChI: InChI=1S/C26H27FN8/c1-15(2)30-17-10-16(13-28-14-17)18-11-19-21(12-20(18)27)33-34-23(19)26-31-24-22(6-7-29-25(24)32-26)35-8-4-3-5-9-35/h6-7,10-15,30H,3-5,8-9H2,1-2H3,(H,33,34)(H,29,31,32)
• InChIKey: TUTNGCUOGOLJNA-UHFFFAOYSA-N
• XLogP: 5.51
• TPSA: 98.41 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	470.56
LogP ≤ 5	5.51
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 5-[6-fluoro-3-(7-piperidin-1-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-indazol-5-yl]-N-propan-2-ylpyridin-3-amine (CID 137134829) is 5-[6-fluoro-3-(7-piperidin-1-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-indazol-5-yl]-N-propan-2-ylpyridin-3-amine.

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

The canonical SMILES for 5-[6-fluoro-3-(7-piperidin-1-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-indazol-5-yl]-N-propan-2-ylpyridin-3-amine is CC(C)Nc1cncc(-c2cc3c(-c4nc5nccc(N6CCCCC6)c5[nH]4)n[nH]c3cc2F)c1.

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

The InChIKey is TUTNGCUOGOLJNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27FN8/c1-15(2)30-17-10-16(13-28-14-17)18-11-19-21(12-20(18)27)33-34-23(19)26-31-24-22(6-7-29-25(24)32-26)35-8-4-3-5-9-35/h6-7,10-15,30H,3-5,8-9H2,1-2H3,(H,33,34)(H,29,31,32).

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

5-[6-fluoro-3-(7-piperidin-1-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-indazol-5-yl]-N-propan-2-ylpyridin-3-amine has a molecular weight of 470.56 g/mol, XLogP of 5.51, 5 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-piperidin-1-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-indazol-5-yl]-N-propan-2-ylpyridin-3-amine is sourced from PubChem (CID 137134829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).