5-[7-fluoro-3-[4-(2-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-indazol-5-yl]-N,N-dimethylpyridin-3-amine

C26H19F2N7 — CID 136935571

About 5-[7-fluoro-3-[4-(2-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-indazol-5-yl]-N,N-dimethylpyridin-3-amine

5-[7-fluoro-3-[4-(2-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-indazol-5-yl]-N,N-dimethylpyridin-3-amine (PubChem CID 136935571) has the molecular formula C26H19F2N7 and a molecular weight of 467.48 g/mol. Its IUPAC name is 5-[7-fluoro-3-[4-(2-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-indazol-5-yl]-N,N-dimethylpyridin-3-amine.

Molecular Properties

• Compound Name: 5-[7-fluoro-3-[4-(2-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-indazol-5-yl]-N,N-dimethylpyridin-3-amine
• PubChem CID: 136935571
• Molecular Formula: C26H19F2N7
• Molecular Weight: 467.48 g/mol
• Exact Mass: 467.17
• IUPAC Name: 5-[7-fluoro-3-[4-(2-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-indazol-5-yl]-N,N-dimethylpyridin-3-amine
• SMILES: CN(C)c1cncc(-c2cc(F)c3n[nH]c(-c4nc5c(-c6ccccc6F)nccc5[nH]4)c3c2)c1
• InChI: InChI=1S/C26H19F2N7/c1-35(2)16-9-15(12-29-13-16)14-10-18-22(20(28)11-14)33-34-24(18)26-31-21-7-8-30-23(25(21)32-26)17-5-3-4-6-19(17)27/h3-13H,1-2H3,(H,31,32)(H,33,34)
• InChIKey: YBRDEEVGVINEPS-UHFFFAOYSA-N
• XLogP: 5.57
• TPSA: 86.38 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	467.48
LogP ≤ 5	5.57
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 5-[7-fluoro-3-[4-(2-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-indazol-5-yl]-N,N-dimethylpyridin-3-amine (CID 136935571) is 5-[7-fluoro-3-[4-(2-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-indazol-5-yl]-N,N-dimethylpyridin-3-amine.

What is the SMILES notation for 5-[7-fluoro-3-[4-(2-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-indazol-5-yl]-N,N-dimethylpyridin-3-amine?

The canonical SMILES for 5-[7-fluoro-3-[4-(2-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-indazol-5-yl]-N,N-dimethylpyridin-3-amine is CN(C)c1cncc(-c2cc(F)c3n[nH]c(-c4nc5c(-c6ccccc6F)nccc5[nH]4)c3c2)c1.

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

The InChIKey is YBRDEEVGVINEPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19F2N7/c1-35(2)16-9-15(12-29-13-16)14-10-18-22(20(28)11-14)33-34-24(18)26-31-21-7-8-30-23(25(21)32-26)17-5-3-4-6-19(17)27/h3-13H,1-2H3,(H,31,32)(H,33,34).

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

5-[7-fluoro-3-[4-(2-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-indazol-5-yl]-N,N-dimethylpyridin-3-amine has a molecular weight of 467.48 g/mol, XLogP of 5.57, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[7-fluoro-3-[4-(2-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-indazol-5-yl]-N,N-dimethylpyridin-3-amine is sourced from PubChem (CID 136935571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).