5-(1H-pyrazol-4-yl)-3-(4-pyridin-3-yl-1H-benzimidazol-2-yl)-1H-pyrazolo[4,3-b]pyridine

C21H14N8 — CID 137109372

About 5-(1H-pyrazol-4-yl)-3-(4-pyridin-3-yl-1H-benzimidazol-2-yl)-1H-pyrazolo[4,3-b]pyridine

5-(1H-pyrazol-4-yl)-3-(4-pyridin-3-yl-1H-benzimidazol-2-yl)-1H-pyrazolo[4,3-b]pyridine (PubChem CID 137109372) has the molecular formula C21H14N8 and a molecular weight of 378.40 g/mol. Its IUPAC name is 5-(1H-pyrazol-4-yl)-3-(4-pyridin-3-yl-1H-benzimidazol-2-yl)-1H-pyrazolo[4,3-b]pyridine.

Molecular Properties

• Compound Name: 5-(1H-pyrazol-4-yl)-3-(4-pyridin-3-yl-1H-benzimidazol-2-yl)-1H-pyrazolo[4,3-b]pyridine
• PubChem CID: 137109372
• Molecular Formula: C21H14N8
• Molecular Weight: 378.40 g/mol
• Exact Mass: 378.13
• IUPAC Name: 5-(1H-pyrazol-4-yl)-3-(4-pyridin-3-yl-1H-benzimidazol-2-yl)-1H-pyrazolo[4,3-b]pyridine
• SMILES: c1cncc(-c2cccc3[nH]c(-c4n[nH]c5ccc(-c6cn[nH]c6)nc45)nc23)c1
• InChI: InChI=1S/C21H14N8/c1-4-14(12-3-2-8-22-9-12)18-16(5-1)26-21(27-18)20-19-17(28-29-20)7-6-15(25-19)13-10-23-24-11-13/h1-11H,(H,23,24)(H,26,27)(H,28,29)
• InChIKey: KNONFEOQRQQBBJ-UHFFFAOYSA-N
• XLogP: 3.95
• TPSA: 111.82 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	378.40
LogP ≤ 5	3.95
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 5-(1H-pyrazol-4-yl)-3-(4-pyridin-3-yl-1H-benzimidazol-2-yl)-1H-pyrazolo[4,3-b]pyridine (CID 137109372) is 5-(1H-pyrazol-4-yl)-3-(4-pyridin-3-yl-1H-benzimidazol-2-yl)-1H-pyrazolo[4,3-b]pyridine.

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

The canonical SMILES for 5-(1H-pyrazol-4-yl)-3-(4-pyridin-3-yl-1H-benzimidazol-2-yl)-1H-pyrazolo[4,3-b]pyridine is c1cncc(-c2cccc3[nH]c(-c4n[nH]c5ccc(-c6cn[nH]c6)nc45)nc23)c1.

What is the InChIKey of 5-(1H-pyrazol-4-yl)-3-(4-pyridin-3-yl-1H-benzimidazol-2-yl)-1H-pyrazolo[4,3-b]pyridine?

The InChIKey is KNONFEOQRQQBBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14N8/c1-4-14(12-3-2-8-22-9-12)18-16(5-1)26-21(27-18)20-19-17(28-29-20)7-6-15(25-19)13-10-23-24-11-13/h1-11H,(H,23,24)(H,26,27)(H,28,29).

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

5-(1H-pyrazol-4-yl)-3-(4-pyridin-3-yl-1H-benzimidazol-2-yl)-1H-pyrazolo[4,3-b]pyridine has a molecular weight of 378.40 g/mol, XLogP of 3.95, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(1H-pyrazol-4-yl)-3-(4-pyridin-3-yl-1H-benzimidazol-2-yl)-1H-pyrazolo[4,3-b]pyridine is sourced from PubChem (CID 137109372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).