2-(5-pyrimidin-5-yl-1H-indazol-3-yl)-4-thiophen-2-yl-1H-imidazo[4,5-c]pyridine

C21H13N7S — CID 137019610

About 2-(5-pyrimidin-5-yl-1H-indazol-3-yl)-4-thiophen-2-yl-1H-imidazo[4,5-c]pyridine

2-(5-pyrimidin-5-yl-1H-indazol-3-yl)-4-thiophen-2-yl-1H-imidazo[4,5-c]pyridine (PubChem CID 137019610) has the molecular formula C21H13N7S and a molecular weight of 395.45 g/mol. Its IUPAC name is 2-(5-pyrimidin-5-yl-1H-indazol-3-yl)-4-thiophen-2-yl-1H-imidazo[4,5-c]pyridine.

Molecular Properties

• Compound Name: 2-(5-pyrimidin-5-yl-1H-indazol-3-yl)-4-thiophen-2-yl-1H-imidazo[4,5-c]pyridine
• PubChem CID: 137019610
• Molecular Formula: C21H13N7S
• Molecular Weight: 395.45 g/mol
• Exact Mass: 395.10
• IUPAC Name: 2-(5-pyrimidin-5-yl-1H-indazol-3-yl)-4-thiophen-2-yl-1H-imidazo[4,5-c]pyridine
• SMILES: c1csc(-c2nccc3[nH]c(-c4n[nH]c5ccc(-c6cncnc6)cc45)nc23)c1
• InChI: InChI=1S/C21H13N7S/c1-2-17(29-7-1)20-19-16(5-6-24-20)25-21(26-19)18-14-8-12(3-4-15(14)27-28-18)13-9-22-11-23-10-13/h1-11H,(H,25,26)(H,27,28)
• InChIKey: LZKLZHMOTSWXLI-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-pyrimidin-5-yl-1H-indazol-3-yl)-4-thiophen-2-yl-1H-imidazo[4,5-c]pyridine?

The IUPAC name of 2-(5-pyrimidin-5-yl-1H-indazol-3-yl)-4-thiophen-2-yl-1H-imidazo[4,5-c]pyridine (CID 137019610) is 2-(5-pyrimidin-5-yl-1H-indazol-3-yl)-4-thiophen-2-yl-1H-imidazo[4,5-c]pyridine.

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

The canonical SMILES for 2-(5-pyrimidin-5-yl-1H-indazol-3-yl)-4-thiophen-2-yl-1H-imidazo[4,5-c]pyridine is c1csc(-c2nccc3[nH]c(-c4n[nH]c5ccc(-c6cncnc6)cc45)nc23)c1.

What is the InChIKey of 2-(5-pyrimidin-5-yl-1H-indazol-3-yl)-4-thiophen-2-yl-1H-imidazo[4,5-c]pyridine?

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

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

2-(5-pyrimidin-5-yl-1H-indazol-3-yl)-4-thiophen-2-yl-1H-imidazo[4,5-c]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-pyrimidin-5-yl-1H-indazol-3-yl)-4-thiophen-2-yl-1H-imidazo[4,5-c]pyridine is sourced from PubChem (CID 137019610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).