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

C24H17F2N7S — CID 136935829

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

5-[7-fluoro-3-[4-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-indazol-5-yl]-N,N-dimethylpyridin-3-amine (PubChem CID 136935829) has the molecular formula C24H17F2N7S and a molecular weight of 473.51 g/mol. Its IUPAC name is 5-[7-fluoro-3-[4-(5-fluorothiophen-2-yl)-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-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-indazol-5-yl]-N,N-dimethylpyridin-3-amine
• PubChem CID: 136935829
• Molecular Formula: C24H17F2N7S
• Molecular Weight: 473.51 g/mol
• Exact Mass: 473.12
• IUPAC Name: 5-[7-fluoro-3-[4-(5-fluorothiophen-2-yl)-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(-c6ccc(F)s6)nccc5[nH]4)c3c2)c1
• InChI: InChI=1S/C24H17F2N7S/c1-33(2)14-7-13(10-27-11-14)12-8-15-20(16(25)9-12)31-32-21(15)24-29-17-5-6-28-23(22(17)30-24)18-3-4-19(26)34-18/h3-11H,1-2H3,(H,29,30)(H,31,32)
• InChIKey: ZHZAVKFETWESLR-UHFFFAOYSA-N
• XLogP: 5.64
• TPSA: 86.38 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	473.51
LogP ≤ 5	5.64
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-[7-fluoro-3-[4-(5-fluorothiophen-2-yl)-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-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-indazol-5-yl]-N,N-dimethylpyridin-3-amine (CID 136935829) is 5-[7-fluoro-3-[4-(5-fluorothiophen-2-yl)-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-(5-fluorothiophen-2-yl)-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-(5-fluorothiophen-2-yl)-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(-c6ccc(F)s6)nccc5[nH]4)c3c2)c1.

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

The InChIKey is ZHZAVKFETWESLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17F2N7S/c1-33(2)14-7-13(10-27-11-14)12-8-15-20(16(25)9-12)31-32-21(15)24-29-17-5-6-28-23(22(17)30-24)18-3-4-19(26)34-18/h3-11H,1-2H3,(H,29,30)(H,31,32).

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

5-[7-fluoro-3-[4-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-indazol-5-yl]-N,N-dimethylpyridin-3-amine has a molecular weight of 473.51 g/mol, XLogP of 5.64, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[7-fluoro-3-[4-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-indazol-5-yl]-N,N-dimethylpyridin-3-amine is sourced from PubChem (CID 136935829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).