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

C21H13N7S — CID 136937438

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

2-(5-pyridin-4-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-7-thiophen-3-yl-1H-imidazo[4,5-b]pyridine (PubChem CID 136937438) has the molecular formula C21H13N7S and a molecular weight of 395.45 g/mol. Its IUPAC name is 2-(5-pyridin-4-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-7-thiophen-3-yl-1H-imidazo[4,5-b]pyridine.

Molecular Properties

• Compound Name: 2-(5-pyridin-4-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-7-thiophen-3-yl-1H-imidazo[4,5-b]pyridine
• PubChem CID: 136937438
• Molecular Formula: C21H13N7S
• Molecular Weight: 395.45 g/mol
• Exact Mass: 395.10
• IUPAC Name: 2-(5-pyridin-4-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-7-thiophen-3-yl-1H-imidazo[4,5-b]pyridine
• SMILES: c1cc(-c2cc3c(-c4nc5nccc(-c6ccsc6)c5[nH]4)n[nH]c3cn2)ccn1
• InChI: InChI=1S/C21H13N7S/c1-5-22-6-2-12(1)16-9-15-17(10-24-16)27-28-19(15)21-25-18-14(13-4-8-29-11-13)3-7-23-20(18)26-21/h1-11H,(H,27,28)(H,23,25,26)
• InChIKey: NEFPZLXKJCFFNF-UHFFFAOYSA-N
• XLogP: 4.69
• TPSA: 96.03 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	395.45
LogP ≤ 5	4.69
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 2-(5-pyridin-4-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-7-thiophen-3-yl-1H-imidazo[4,5-b]pyridine (CID 136937438) is 2-(5-pyridin-4-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-7-thiophen-3-yl-1H-imidazo[4,5-b]pyridine.

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

The canonical SMILES for 2-(5-pyridin-4-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-7-thiophen-3-yl-1H-imidazo[4,5-b]pyridine is c1cc(-c2cc3c(-c4nc5nccc(-c6ccsc6)c5[nH]4)n[nH]c3cn2)ccn1.

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

The InChIKey is NEFPZLXKJCFFNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13N7S/c1-5-22-6-2-12(1)16-9-15-17(10-24-16)27-28-19(15)21-25-18-14(13-4-8-29-11-13)3-7-23-20(18)26-21/h1-11H,(H,27,28)(H,23,25,26).

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

2-(5-pyridin-4-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-7-thiophen-3-yl-1H-imidazo[4,5-b]pyridine has a molecular weight of 395.45 g/mol, XLogP of 4.69, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(5-pyridin-4-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-7-thiophen-3-yl-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 136937438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).