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

C26H19F2N7 — CID 137134692

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

5-[6-fluoro-3-[7-(4-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]-N,N-dimethylpyridin-3-amine (PubChem CID 137134692) has the molecular formula C26H19F2N7 and a molecular weight of 467.48 g/mol. Its IUPAC name is 5-[6-fluoro-3-[7-(4-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]-N,N-dimethylpyridin-3-amine.

Molecular Properties

• Compound Name: 5-[6-fluoro-3-[7-(4-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]-N,N-dimethylpyridin-3-amine
• PubChem CID: 137134692
• Molecular Formula: C26H19F2N7
• Molecular Weight: 467.48 g/mol
• Exact Mass: 467.17
• IUPAC Name: 5-[6-fluoro-3-[7-(4-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]-N,N-dimethylpyridin-3-amine
• SMILES: CN(C)c1cncc(-c2cc3c(-c4nc5nccc(-c6ccc(F)cc6)c5[nH]4)n[nH]c3cc2F)c1
• InChI: InChI=1S/C26H19F2N7/c1-35(2)17-9-15(12-29-13-17)19-10-20-22(11-21(19)28)33-34-24(20)26-31-23-18(7-8-30-25(23)32-26)14-3-5-16(27)6-4-14/h3-13H,1-2H3,(H,33,34)(H,30,31,32)
• InChIKey: GDJFBZMONHQPRW-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-[6-fluoro-3-[7-(4-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]-N,N-dimethylpyridin-3-amine?

The IUPAC name of 5-[6-fluoro-3-[7-(4-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]-N,N-dimethylpyridin-3-amine (CID 137134692) is 5-[6-fluoro-3-[7-(4-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]-N,N-dimethylpyridin-3-amine.

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

The canonical SMILES for 5-[6-fluoro-3-[7-(4-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]-N,N-dimethylpyridin-3-amine is CN(C)c1cncc(-c2cc3c(-c4nc5nccc(-c6ccc(F)cc6)c5[nH]4)n[nH]c3cc2F)c1.

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

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

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

5-[6-fluoro-3-[7-(4-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-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-[6-fluoro-3-[7-(4-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]-N,N-dimethylpyridin-3-amine is sourced from PubChem (CID 137134692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).