7-(5-methylthiophen-2-yl)-2-(5-pyridin-3-yl-1H-indazol-3-yl)-3H-imidazo[4,5-c]pyridine

C23H16N6S — CID 136600735

About 7-(5-methylthiophen-2-yl)-2-(5-pyridin-3-yl-1H-indazol-3-yl)-3H-imidazo[4,5-c]pyridine

7-(5-methylthiophen-2-yl)-2-(5-pyridin-3-yl-1H-indazol-3-yl)-3H-imidazo[4,5-c]pyridine (PubChem CID 136600735) has the molecular formula C23H16N6S and a molecular weight of 408.49 g/mol. Its IUPAC name is 7-(5-methylthiophen-2-yl)-2-(5-pyridin-3-yl-1H-indazol-3-yl)-3H-imidazo[4,5-c]pyridine.

Molecular Properties

• Compound Name: 7-(5-methylthiophen-2-yl)-2-(5-pyridin-3-yl-1H-indazol-3-yl)-3H-imidazo[4,5-c]pyridine
• PubChem CID: 136600735
• Molecular Formula: C23H16N6S
• Molecular Weight: 408.49 g/mol
• Exact Mass: 408.12
• IUPAC Name: 7-(5-methylthiophen-2-yl)-2-(5-pyridin-3-yl-1H-indazol-3-yl)-3H-imidazo[4,5-c]pyridine
• SMILES: Cc1ccc(-c2cncc3[nH]c(-c4n[nH]c5ccc(-c6cccnc6)cc45)nc23)s1
• InChI: InChI=1S/C23H16N6S/c1-13-4-7-20(30-13)17-11-25-12-19-21(17)27-23(26-19)22-16-9-14(5-6-18(16)28-29-22)15-3-2-8-24-10-15/h2-12H,1H3,(H,26,27)(H,28,29)
• InChIKey: CDXBJWLUJUASGQ-UHFFFAOYSA-N
• XLogP: 5.60
• TPSA: 83.14 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	408.49
LogP ≤ 5	5.60
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 7-(5-methylthiophen-2-yl)-2-(5-pyridin-3-yl-1H-indazol-3-yl)-3H-imidazo[4,5-c]pyridine (CID 136600735) is 7-(5-methylthiophen-2-yl)-2-(5-pyridin-3-yl-1H-indazol-3-yl)-3H-imidazo[4,5-c]pyridine.

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

The canonical SMILES for 7-(5-methylthiophen-2-yl)-2-(5-pyridin-3-yl-1H-indazol-3-yl)-3H-imidazo[4,5-c]pyridine is Cc1ccc(-c2cncc3[nH]c(-c4n[nH]c5ccc(-c6cccnc6)cc45)nc23)s1.

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

The InChIKey is CDXBJWLUJUASGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16N6S/c1-13-4-7-20(30-13)17-11-25-12-19-21(17)27-23(26-19)22-16-9-14(5-6-18(16)28-29-22)15-3-2-8-24-10-15/h2-12H,1H3,(H,26,27)(H,28,29).

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

7-(5-methylthiophen-2-yl)-2-(5-pyridin-3-yl-1H-indazol-3-yl)-3H-imidazo[4,5-c]pyridine has a molecular weight of 408.49 g/mol, XLogP of 5.60, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(5-methylthiophen-2-yl)-2-(5-pyridin-3-yl-1H-indazol-3-yl)-3H-imidazo[4,5-c]pyridine is sourced from PubChem (CID 136600735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).