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

C21H15N7S — CID 137109356

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

5-(1-methylpyrazol-4-yl)-3-(4-thiophen-3-yl-1H-benzimidazol-2-yl)-1H-pyrazolo[4,3-b]pyridine (PubChem CID 137109356) has the molecular formula C21H15N7S and a molecular weight of 397.47 g/mol. Its IUPAC name is 5-(1-methylpyrazol-4-yl)-3-(4-thiophen-3-yl-1H-benzimidazol-2-yl)-1H-pyrazolo[4,3-b]pyridine.

Molecular Properties

• Compound Name: 5-(1-methylpyrazol-4-yl)-3-(4-thiophen-3-yl-1H-benzimidazol-2-yl)-1H-pyrazolo[4,3-b]pyridine
• PubChem CID: 137109356
• Molecular Formula: C21H15N7S
• Molecular Weight: 397.47 g/mol
• Exact Mass: 397.11
• IUPAC Name: 5-(1-methylpyrazol-4-yl)-3-(4-thiophen-3-yl-1H-benzimidazol-2-yl)-1H-pyrazolo[4,3-b]pyridine
• SMILES: Cn1cc(-c2ccc3[nH]nc(-c4nc5c(-c6ccsc6)cccc5[nH]4)c3n2)cn1
• InChI: InChI=1S/C21H15N7S/c1-28-10-13(9-22-28)15-5-6-17-19(23-15)20(27-26-17)21-24-16-4-2-3-14(18(16)25-21)12-7-8-29-11-12/h2-11H,1H3,(H,24,25)(H,26,27)
• InChIKey: NBTMHVULMQBBEN-UHFFFAOYSA-N
• XLogP: 4.63
• TPSA: 88.07 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	397.47
LogP ≤ 5	4.63
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 5-(1-methylpyrazol-4-yl)-3-(4-thiophen-3-yl-1H-benzimidazol-2-yl)-1H-pyrazolo[4,3-b]pyridine (CID 137109356) is 5-(1-methylpyrazol-4-yl)-3-(4-thiophen-3-yl-1H-benzimidazol-2-yl)-1H-pyrazolo[4,3-b]pyridine.

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

The canonical SMILES for 5-(1-methylpyrazol-4-yl)-3-(4-thiophen-3-yl-1H-benzimidazol-2-yl)-1H-pyrazolo[4,3-b]pyridine is Cn1cc(-c2ccc3[nH]nc(-c4nc5c(-c6ccsc6)cccc5[nH]4)c3n2)cn1.

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

The InChIKey is NBTMHVULMQBBEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N7S/c1-28-10-13(9-22-28)15-5-6-17-19(23-15)20(27-26-17)21-24-16-4-2-3-14(18(16)25-21)12-7-8-29-11-12/h2-11H,1H3,(H,24,25)(H,26,27).

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

5-(1-methylpyrazol-4-yl)-3-(4-thiophen-3-yl-1H-benzimidazol-2-yl)-1H-pyrazolo[4,3-b]pyridine has a molecular weight of 397.47 g/mol, XLogP of 4.63, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(1-methylpyrazol-4-yl)-3-(4-thiophen-3-yl-1H-benzimidazol-2-yl)-1H-pyrazolo[4,3-b]pyridine is sourced from PubChem (CID 137109356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).