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

C23H15N7OS — CID 137041673

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

1-[5-[2-(5-pyridin-4-yl-1H-pyrazolo[4,3-b]pyridin-3-yl)-1H-imidazo[4,5-b]pyridin-7-yl]thiophen-2-yl]ethanone (PubChem CID 137041673) has the molecular formula C23H15N7OS and a molecular weight of 437.49 g/mol. Its IUPAC name is 1-[5-[2-(5-pyridin-4-yl-1H-pyrazolo[4,3-b]pyridin-3-yl)-1H-imidazo[4,5-b]pyridin-7-yl]thiophen-2-yl]ethanone.

Molecular Properties

• Compound Name: 1-[5-[2-(5-pyridin-4-yl-1H-pyrazolo[4,3-b]pyridin-3-yl)-1H-imidazo[4,5-b]pyridin-7-yl]thiophen-2-yl]ethanone
• PubChem CID: 137041673
• Molecular Formula: C23H15N7OS
• Molecular Weight: 437.49 g/mol
• Exact Mass: 437.11
• IUPAC Name: 1-[5-[2-(5-pyridin-4-yl-1H-pyrazolo[4,3-b]pyridin-3-yl)-1H-imidazo[4,5-b]pyridin-7-yl]thiophen-2-yl]ethanone
• SMILES: CC(=O)c1ccc(-c2ccnc3nc(-c4n[nH]c5ccc(-c6ccncc6)nc45)[nH]c23)s1
• InChI: InChI=1S/C23H15N7OS/c1-12(31)17-4-5-18(32-17)14-8-11-25-22-19(14)27-23(28-22)21-20-16(29-30-21)3-2-15(26-20)13-6-9-24-10-7-13/h2-11H,1H3,(H,29,30)(H,25,27,28)
• InChIKey: HQRVQWPEUPQDDH-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-4-yl-1H-pyrazolo[4,3-b]pyridin-3-yl)-1H-imidazo[4,5-b]pyridin-7-yl]thiophen-2-yl]ethanone?

The IUPAC name of 1-[5-[2-(5-pyridin-4-yl-1H-pyrazolo[4,3-b]pyridin-3-yl)-1H-imidazo[4,5-b]pyridin-7-yl]thiophen-2-yl]ethanone (CID 137041673) is 1-[5-[2-(5-pyridin-4-yl-1H-pyrazolo[4,3-b]pyridin-3-yl)-1H-imidazo[4,5-b]pyridin-7-yl]thiophen-2-yl]ethanone.

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

The canonical SMILES for 1-[5-[2-(5-pyridin-4-yl-1H-pyrazolo[4,3-b]pyridin-3-yl)-1H-imidazo[4,5-b]pyridin-7-yl]thiophen-2-yl]ethanone is CC(=O)c1ccc(-c2ccnc3nc(-c4n[nH]c5ccc(-c6ccncc6)nc45)[nH]c23)s1.

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

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

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

1-[5-[2-(5-pyridin-4-yl-1H-pyrazolo[4,3-b]pyridin-3-yl)-1H-imidazo[4,5-b]pyridin-7-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-4-yl-1H-pyrazolo[4,3-b]pyridin-3-yl)-1H-imidazo[4,5-b]pyridin-7-yl]thiophen-2-yl]ethanone is sourced from PubChem (CID 137041673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).