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

C23H14FN7OS — CID 136947091

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

1-[5-[2-(4-fluoro-5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-3H-imidazo[4,5-c]pyridin-7-yl]thiophen-2-yl]ethanone (PubChem CID 136947091) has the molecular formula C23H14FN7OS and a molecular weight of 455.48 g/mol. Its IUPAC name is 1-[5-[2-(4-fluoro-5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-3H-imidazo[4,5-c]pyridin-7-yl]thiophen-2-yl]ethanone.

Molecular Properties

• Compound Name: 1-[5-[2-(4-fluoro-5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-3H-imidazo[4,5-c]pyridin-7-yl]thiophen-2-yl]ethanone
• PubChem CID: 136947091
• Molecular Formula: C23H14FN7OS
• Molecular Weight: 455.48 g/mol
• Exact Mass: 455.10
• IUPAC Name: 1-[5-[2-(4-fluoro-5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-3H-imidazo[4,5-c]pyridin-7-yl]thiophen-2-yl]ethanone
• SMILES: CC(=O)c1ccc(-c2cncc3[nH]c(-c4n[nH]c5cnc(-c6cccnc6)c(F)c45)nc23)s1
• InChI: InChI=1S/C23H14FN7OS/c1-11(32)16-4-5-17(33-16)13-8-26-9-15-21(13)29-23(28-15)22-18-14(30-31-22)10-27-20(19(18)24)12-3-2-6-25-7-12/h2-10H,1H3,(H,28,29)(H,30,31)
• InChIKey: TULOAGXIEPITFI-UHFFFAOYSA-N
• XLogP: 5.03
• TPSA: 113.10 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	455.48
LogP ≤ 5	5.03
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 1-[5-[2-(4-fluoro-5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-3H-imidazo[4,5-c]pyridin-7-yl]thiophen-2-yl]ethanone (CID 136947091) is 1-[5-[2-(4-fluoro-5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-3H-imidazo[4,5-c]pyridin-7-yl]thiophen-2-yl]ethanone.

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

The canonical SMILES for 1-[5-[2-(4-fluoro-5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-3H-imidazo[4,5-c]pyridin-7-yl]thiophen-2-yl]ethanone is CC(=O)c1ccc(-c2cncc3[nH]c(-c4n[nH]c5cnc(-c6cccnc6)c(F)c45)nc23)s1.

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

The InChIKey is TULOAGXIEPITFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14FN7OS/c1-11(32)16-4-5-17(33-16)13-8-26-9-15-21(13)29-23(28-15)22-18-14(30-31-22)10-27-20(19(18)24)12-3-2-6-25-7-12/h2-10H,1H3,(H,28,29)(H,30,31).

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

1-[5-[2-(4-fluoro-5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-3H-imidazo[4,5-c]pyridin-7-yl]thiophen-2-yl]ethanone has a molecular weight of 455.48 g/mol, XLogP of 5.03, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[5-[2-(4-fluoro-5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-3H-imidazo[4,5-c]pyridin-7-yl]thiophen-2-yl]ethanone is sourced from PubChem (CID 136947091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).