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

C27H22FN7 — CID 137133903

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

5-[3-[7-(2-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]-N-propan-2-ylpyridin-3-amine (PubChem CID 137133903) has the molecular formula C27H22FN7 and a molecular weight of 463.52 g/mol. Its IUPAC name is 5-[3-[7-(2-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]-N-propan-2-ylpyridin-3-amine.

Molecular Properties

• Compound Name: 5-[3-[7-(2-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]-N-propan-2-ylpyridin-3-amine
• PubChem CID: 137133903
• Molecular Formula: C27H22FN7
• Molecular Weight: 463.52 g/mol
• Exact Mass: 463.19
• IUPAC Name: 5-[3-[7-(2-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]-N-propan-2-ylpyridin-3-amine
• SMILES: CC(C)Nc1cncc(-c2ccc3[nH]nc(-c4nc5nccc(-c6ccccc6F)c5[nH]4)c3c2)c1
• InChI: InChI=1S/C27H22FN7/c1-15(2)31-18-11-17(13-29-14-18)16-7-8-23-21(12-16)25(35-34-23)27-32-24-20(9-10-30-26(24)33-27)19-5-3-4-6-22(19)28/h3-15,31H,1-2H3,(H,34,35)(H,30,32,33)
• InChIKey: LIEAWJZDYGWQAE-UHFFFAOYSA-N
• XLogP: 6.19
• TPSA: 95.17 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	463.52
LogP ≤ 5	6.19
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 5-[3-[7-(2-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]-N-propan-2-ylpyridin-3-amine (CID 137133903) is 5-[3-[7-(2-fluorophenyl)-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-[3-[7-(2-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]-N-propan-2-ylpyridin-3-amine?

The canonical SMILES for 5-[3-[7-(2-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]-N-propan-2-ylpyridin-3-amine is CC(C)Nc1cncc(-c2ccc3[nH]nc(-c4nc5nccc(-c6ccccc6F)c5[nH]4)c3c2)c1.

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

The InChIKey is LIEAWJZDYGWQAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22FN7/c1-15(2)31-18-11-17(13-29-14-18)16-7-8-23-21(12-16)25(35-34-23)27-32-24-20(9-10-30-26(24)33-27)19-5-3-4-6-22(19)28/h3-15,31H,1-2H3,(H,34,35)(H,30,32,33).

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

5-[3-[7-(2-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]-N-propan-2-ylpyridin-3-amine has a molecular weight of 463.52 g/mol, XLogP of 6.19, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[3-[7-(2-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]-N-propan-2-ylpyridin-3-amine is sourced from PubChem (CID 137133903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).