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

C23H15N7OS — CID 136945742

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

1-[5-[2-(5-pyridin-2-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)-1H-imidazo[4,5-c]pyridin-4-yl]thiophen-2-yl]ethanone (PubChem CID 136945742) has the molecular formula C23H15N7OS and a molecular weight of 437.49 g/mol. Its IUPAC name is 1-[5-[2-(5-pyridin-2-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)-1H-imidazo[4,5-c]pyridin-4-yl]thiophen-2-yl]ethanone.

Molecular Properties

• Compound Name: 1-[5-[2-(5-pyridin-2-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)-1H-imidazo[4,5-c]pyridin-4-yl]thiophen-2-yl]ethanone
• PubChem CID: 136945742
• Molecular Formula: C23H15N7OS
• Molecular Weight: 437.49 g/mol
• Exact Mass: 437.11
• IUPAC Name: 1-[5-[2-(5-pyridin-2-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)-1H-imidazo[4,5-c]pyridin-4-yl]thiophen-2-yl]ethanone
• SMILES: CC(=O)c1ccc(-c2nccc3[nH]c(-c4[nH]nc5ncc(-c6ccccn6)cc45)nc23)s1
• InChI: InChI=1S/C23H15N7OS/c1-12(31)17-5-6-18(32-17)21-20-16(7-9-25-21)27-23(28-20)19-14-10-13(11-26-22(14)30-29-19)15-4-2-3-8-24-15/h2-11H,1H3,(H,27,28)(H,26,29,30)
• InChIKey: XQHQPHHAULHVCU-UHFFFAOYSA-N
• XLogP: 4.89
• TPSA: 113.10 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	437.49
LogP ≤ 5	4.89
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 1-[5-[2-(5-pyridin-2-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)-1H-imidazo[4,5-c]pyridin-4-yl]thiophen-2-yl]ethanone (CID 136945742) is 1-[5-[2-(5-pyridin-2-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)-1H-imidazo[4,5-c]pyridin-4-yl]thiophen-2-yl]ethanone.

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

The canonical SMILES for 1-[5-[2-(5-pyridin-2-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)-1H-imidazo[4,5-c]pyridin-4-yl]thiophen-2-yl]ethanone is CC(=O)c1ccc(-c2nccc3[nH]c(-c4[nH]nc5ncc(-c6ccccn6)cc45)nc23)s1.

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

The InChIKey is XQHQPHHAULHVCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15N7OS/c1-12(31)17-5-6-18(32-17)21-20-16(7-9-25-21)27-23(28-20)19-14-10-13(11-26-22(14)30-29-19)15-4-2-3-8-24-15/h2-11H,1H3,(H,27,28)(H,26,29,30).

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

1-[5-[2-(5-pyridin-2-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)-1H-imidazo[4,5-c]pyridin-4-yl]thiophen-2-yl]ethanone has a molecular weight of 437.49 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 1-[5-[2-(5-pyridin-2-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)-1H-imidazo[4,5-c]pyridin-4-yl]thiophen-2-yl]ethanone is sourced from PubChem (CID 136945742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).