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

C23H16N8 — CID 137308947

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

3-[4-(3-methylphenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-pyrazin-2-yl-1H-pyrazolo[4,3-b]pyridine (PubChem CID 137308947) has the molecular formula C23H16N8 and a molecular weight of 404.44 g/mol. Its IUPAC name is 3-[4-(3-methylphenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-pyrazin-2-yl-1H-pyrazolo[4,3-b]pyridine.

Molecular Properties

• Compound Name: 3-[4-(3-methylphenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-pyrazin-2-yl-1H-pyrazolo[4,3-b]pyridine
• PubChem CID: 137308947
• Molecular Formula: C23H16N8
• Molecular Weight: 404.44 g/mol
• Exact Mass: 404.15
• IUPAC Name: 3-[4-(3-methylphenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-pyrazin-2-yl-1H-pyrazolo[4,3-b]pyridine
• SMILES: Cc1cccc(-c2nccc3[nH]c(-c4n[nH]c5ccc(-c6cnccn6)nc45)nc23)c1
• InChI: InChI=1S/C23H16N8/c1-13-3-2-4-14(11-13)19-20-16(7-8-26-19)28-23(29-20)22-21-17(30-31-22)6-5-15(27-21)18-12-24-9-10-25-18/h2-12H,1H3,(H,28,29)(H,30,31)
• InChIKey: CTUFNKWYYLMZSS-UHFFFAOYSA-N
• XLogP: 4.33
• TPSA: 108.92 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	404.44
LogP ≤ 5	4.33
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 3-[4-(3-methylphenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-pyrazin-2-yl-1H-pyrazolo[4,3-b]pyridine (CID 137308947) is 3-[4-(3-methylphenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-pyrazin-2-yl-1H-pyrazolo[4,3-b]pyridine.

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

The canonical SMILES for 3-[4-(3-methylphenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-pyrazin-2-yl-1H-pyrazolo[4,3-b]pyridine is Cc1cccc(-c2nccc3[nH]c(-c4n[nH]c5ccc(-c6cnccn6)nc45)nc23)c1.

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

The InChIKey is CTUFNKWYYLMZSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16N8/c1-13-3-2-4-14(11-13)19-20-16(7-8-26-19)28-23(29-20)22-21-17(30-31-22)6-5-15(27-21)18-12-24-9-10-25-18/h2-12H,1H3,(H,28,29)(H,30,31).

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

3-[4-(3-methylphenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-pyrazin-2-yl-1H-pyrazolo[4,3-b]pyridine has a molecular weight of 404.44 g/mol, XLogP of 4.33, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-(3-methylphenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-pyrazin-2-yl-1H-pyrazolo[4,3-b]pyridine is sourced from PubChem (CID 137308947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).