3-[4-(4-methylimidazol-1-yl)-1H-indol-2-yl]-5-pyrazin-2-yl-1H-pyrazolo[4,3-b]pyridine

C22H16N8 — CID 137114763

About 3-[4-(4-methylimidazol-1-yl)-1H-indol-2-yl]-5-pyrazin-2-yl-1H-pyrazolo[4,3-b]pyridine

3-[4-(4-methylimidazol-1-yl)-1H-indol-2-yl]-5-pyrazin-2-yl-1H-pyrazolo[4,3-b]pyridine (PubChem CID 137114763) has the molecular formula C22H16N8 and a molecular weight of 392.43 g/mol. Its IUPAC name is 3-[4-(4-methylimidazol-1-yl)-1H-indol-2-yl]-5-pyrazin-2-yl-1H-pyrazolo[4,3-b]pyridine.

Molecular Properties

• Compound Name: 3-[4-(4-methylimidazol-1-yl)-1H-indol-2-yl]-5-pyrazin-2-yl-1H-pyrazolo[4,3-b]pyridine
• PubChem CID: 137114763
• Molecular Formula: C22H16N8
• Molecular Weight: 392.43 g/mol
• Exact Mass: 392.15
• IUPAC Name: 3-[4-(4-methylimidazol-1-yl)-1H-indol-2-yl]-5-pyrazin-2-yl-1H-pyrazolo[4,3-b]pyridine
• SMILES: Cc1cn(-c2cccc3[nH]c(-c4n[nH]c5ccc(-c6cnccn6)nc45)cc23)cn1
• InChI: InChI=1S/C22H16N8/c1-13-11-30(12-25-13)20-4-2-3-15-14(20)9-18(26-15)22-21-17(28-29-22)6-5-16(27-21)19-10-23-7-8-24-19/h2-12,26H,1H3,(H,28,29)
• InChIKey: GBQQLWSPGLVHEN-UHFFFAOYSA-N
• XLogP: 4.06
• TPSA: 100.96 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	392.43
LogP ≤ 5	4.06
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 3-[4-(4-methylimidazol-1-yl)-1H-indol-2-yl]-5-pyrazin-2-yl-1H-pyrazolo[4,3-b]pyridine (CID 137114763) is 3-[4-(4-methylimidazol-1-yl)-1H-indol-2-yl]-5-pyrazin-2-yl-1H-pyrazolo[4,3-b]pyridine.

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

The canonical SMILES for 3-[4-(4-methylimidazol-1-yl)-1H-indol-2-yl]-5-pyrazin-2-yl-1H-pyrazolo[4,3-b]pyridine is Cc1cn(-c2cccc3[nH]c(-c4n[nH]c5ccc(-c6cnccn6)nc45)cc23)cn1.

What is the InChIKey of 3-[4-(4-methylimidazol-1-yl)-1H-indol-2-yl]-5-pyrazin-2-yl-1H-pyrazolo[4,3-b]pyridine?

The InChIKey is GBQQLWSPGLVHEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N8/c1-13-11-30(12-25-13)20-4-2-3-15-14(20)9-18(26-15)22-21-17(28-29-22)6-5-16(27-21)19-10-23-7-8-24-19/h2-12,26H,1H3,(H,28,29).

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

3-[4-(4-methylimidazol-1-yl)-1H-indol-2-yl]-5-pyrazin-2-yl-1H-pyrazolo[4,3-b]pyridine has a molecular weight of 392.43 g/mol, XLogP of 4.06, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-(4-methylimidazol-1-yl)-1H-indol-2-yl]-5-pyrazin-2-yl-1H-pyrazolo[4,3-b]pyridine is sourced from PubChem (CID 137114763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).