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

C27H21F2N7 — CID 137134669

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

5-[6-fluoro-3-[7-(3-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]-N-propan-2-ylpyridin-3-amine (PubChem CID 137134669) has the molecular formula C27H21F2N7 and a molecular weight of 481.51 g/mol. Its IUPAC name is 5-[6-fluoro-3-[7-(3-fluorophenyl)-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-(3-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]-N-propan-2-ylpyridin-3-amine
• PubChem CID: 137134669
• Molecular Formula: C27H21F2N7
• Molecular Weight: 481.51 g/mol
• Exact Mass: 481.18
• IUPAC Name: 5-[6-fluoro-3-[7-(3-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]-N-propan-2-ylpyridin-3-amine
• SMILES: CC(C)Nc1cncc(-c2cc3c(-c4nc5nccc(-c6cccc(F)c6)c5[nH]4)n[nH]c3cc2F)c1
• InChI: InChI=1S/C27H21F2N7/c1-14(2)32-18-9-16(12-30-13-18)20-10-21-23(11-22(20)29)35-36-25(21)27-33-24-19(6-7-31-26(24)34-27)15-4-3-5-17(28)8-15/h3-14,32H,1-2H3,(H,35,36)(H,31,33,34)
• InChIKey: AZYBJFQDGJVHHU-UHFFFAOYSA-N
• XLogP: 6.33
• TPSA: 95.17 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	481.51
LogP ≤ 5	6.33
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-[6-fluoro-3-[7-(3-fluorophenyl)-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-(3-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]-N-propan-2-ylpyridin-3-amine (CID 137134669) is 5-[6-fluoro-3-[7-(3-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-[6-fluoro-3-[7-(3-fluorophenyl)-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-(3-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]-N-propan-2-ylpyridin-3-amine is CC(C)Nc1cncc(-c2cc3c(-c4nc5nccc(-c6cccc(F)c6)c5[nH]4)n[nH]c3cc2F)c1.

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

The InChIKey is AZYBJFQDGJVHHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21F2N7/c1-14(2)32-18-9-16(12-30-13-18)20-10-21-23(11-22(20)29)35-36-25(21)27-33-24-19(6-7-31-26(24)34-27)15-4-3-5-17(28)8-15/h3-14,32H,1-2H3,(H,35,36)(H,31,33,34).

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

5-[6-fluoro-3-[7-(3-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]-N-propan-2-ylpyridin-3-amine has a molecular weight of 481.51 g/mol, XLogP of 6.33, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[6-fluoro-3-[7-(3-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]-N-propan-2-ylpyridin-3-amine is sourced from PubChem (CID 137134669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).