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

C22H15N7S — CID 136935471

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

4-(5-methylthiophen-2-yl)-2-(5-pyrimidin-5-yl-1H-indazol-3-yl)-1H-imidazo[4,5-c]pyridine (PubChem CID 136935471) has the molecular formula C22H15N7S and a molecular weight of 409.48 g/mol. Its IUPAC name is 4-(5-methylthiophen-2-yl)-2-(5-pyrimidin-5-yl-1H-indazol-3-yl)-1H-imidazo[4,5-c]pyridine.

Molecular Properties

• Compound Name: 4-(5-methylthiophen-2-yl)-2-(5-pyrimidin-5-yl-1H-indazol-3-yl)-1H-imidazo[4,5-c]pyridine
• PubChem CID: 136935471
• Molecular Formula: C22H15N7S
• Molecular Weight: 409.48 g/mol
• Exact Mass: 409.11
• IUPAC Name: 4-(5-methylthiophen-2-yl)-2-(5-pyrimidin-5-yl-1H-indazol-3-yl)-1H-imidazo[4,5-c]pyridine
• SMILES: Cc1ccc(-c2nccc3[nH]c(-c4n[nH]c5ccc(-c6cncnc6)cc45)nc23)s1
• InChI: InChI=1S/C22H15N7S/c1-12-2-5-18(30-12)21-20-17(6-7-25-21)26-22(27-20)19-15-8-13(3-4-16(15)28-29-19)14-9-23-11-24-10-14/h2-11H,1H3,(H,26,27)(H,28,29)
• InChIKey: YXBIHKMLYUUNIJ-UHFFFAOYSA-N
• XLogP: 5.00
• TPSA: 96.03 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	409.48
LogP ≤ 5	5.00
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 4-(5-methylthiophen-2-yl)-2-(5-pyrimidin-5-yl-1H-indazol-3-yl)-1H-imidazo[4,5-c]pyridine (CID 136935471) is 4-(5-methylthiophen-2-yl)-2-(5-pyrimidin-5-yl-1H-indazol-3-yl)-1H-imidazo[4,5-c]pyridine.

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

The canonical SMILES for 4-(5-methylthiophen-2-yl)-2-(5-pyrimidin-5-yl-1H-indazol-3-yl)-1H-imidazo[4,5-c]pyridine is Cc1ccc(-c2nccc3[nH]c(-c4n[nH]c5ccc(-c6cncnc6)cc45)nc23)s1.

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

The InChIKey is YXBIHKMLYUUNIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15N7S/c1-12-2-5-18(30-12)21-20-17(6-7-25-21)26-22(27-20)19-15-8-13(3-4-16(15)28-29-19)14-9-23-11-24-10-14/h2-11H,1H3,(H,26,27)(H,28,29).

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

4-(5-methylthiophen-2-yl)-2-(5-pyrimidin-5-yl-1H-indazol-3-yl)-1H-imidazo[4,5-c]pyridine has a molecular weight of 409.48 g/mol, XLogP of 5.00, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(5-methylthiophen-2-yl)-2-(5-pyrimidin-5-yl-1H-indazol-3-yl)-1H-imidazo[4,5-c]pyridine is sourced from PubChem (CID 136935471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).