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

C23H17FN8S — CID 136946983

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

5-[4-fluoro-3-(7-thiophen-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-N,N-dimethylpyridin-3-amine (PubChem CID 136946983) has the molecular formula C23H17FN8S and a molecular weight of 456.51 g/mol. Its IUPAC name is 5-[4-fluoro-3-(7-thiophen-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-N,N-dimethylpyridin-3-amine.

Molecular Properties

• Compound Name: 5-[4-fluoro-3-(7-thiophen-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-N,N-dimethylpyridin-3-amine
• PubChem CID: 136946983
• Molecular Formula: C23H17FN8S
• Molecular Weight: 456.51 g/mol
• Exact Mass: 456.13
• IUPAC Name: 5-[4-fluoro-3-(7-thiophen-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-N,N-dimethylpyridin-3-amine
• SMILES: CN(C)c1cncc(-c2ncc3[nH]nc(-c4nc5c(-c6cccs6)cncc5[nH]4)c3c2F)c1
• InChI: InChI=1S/C23H17FN8S/c1-32(2)13-6-12(7-25-8-13)20-19(24)18-15(11-27-20)30-31-22(18)23-28-16-10-26-9-14(21(16)29-23)17-4-3-5-33-17/h3-11H,1-2H3,(H,28,29)(H,30,31)
• InChIKey: OUUMYPCTGSSBBA-UHFFFAOYSA-N
• XLogP: 4.89
• TPSA: 99.27 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	456.51
LogP ≤ 5	4.89
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 5-[4-fluoro-3-(7-thiophen-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-N,N-dimethylpyridin-3-amine (CID 136946983) is 5-[4-fluoro-3-(7-thiophen-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-N,N-dimethylpyridin-3-amine.

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

The canonical SMILES for 5-[4-fluoro-3-(7-thiophen-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-N,N-dimethylpyridin-3-amine is CN(C)c1cncc(-c2ncc3[nH]nc(-c4nc5c(-c6cccs6)cncc5[nH]4)c3c2F)c1.

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

The InChIKey is OUUMYPCTGSSBBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17FN8S/c1-32(2)13-6-12(7-25-8-13)20-19(24)18-15(11-27-20)30-31-22(18)23-28-16-10-26-9-14(21(16)29-23)17-4-3-5-33-17/h3-11H,1-2H3,(H,28,29)(H,30,31).

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

5-[4-fluoro-3-(7-thiophen-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-N,N-dimethylpyridin-3-amine has a molecular weight of 456.51 g/mol, XLogP of 4.89, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-fluoro-3-(7-thiophen-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-N,N-dimethylpyridin-3-amine is sourced from PubChem (CID 136946983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).