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

C23H16N6OS — CID 139424512

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

5-(5-methoxy-3-pyridinyl)-3-(4-thiophen-3-yl-1H-benzimidazol-2-yl)-1H-pyrazolo[4,3-b]pyridine (PubChem CID 139424512) has the molecular formula C23H16N6OS and a molecular weight of 424.49 g/mol. Its IUPAC name is 5-(5-methoxy-3-pyridinyl)-3-(4-thiophen-3-yl-1H-benzimidazol-2-yl)-1H-pyrazolo[4,3-b]pyridine.

Molecular Properties

• Compound Name: 5-(5-methoxy-3-pyridinyl)-3-(4-thiophen-3-yl-1H-benzimidazol-2-yl)-1H-pyrazolo[4,3-b]pyridine
• PubChem CID: 139424512
• Molecular Formula: C23H16N6OS
• Molecular Weight: 424.49 g/mol
• Exact Mass: 424.11
• IUPAC Name: 5-(5-methoxy-3-pyridinyl)-3-(4-thiophen-3-yl-1H-benzimidazol-2-yl)-1H-pyrazolo[4,3-b]pyridine
• SMILES: COc1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6ccsc6)cccc5[nH]4)c3n2)c1
• InChI: InChI=1S/C23H16N6OS/c1-30-15-9-14(10-24-11-15)17-5-6-19-21(25-17)22(29-28-19)23-26-18-4-2-3-16(20(18)27-23)13-7-8-31-12-13/h2-12H,1H3,(H,26,27)(H,28,29)
• InChIKey: VFIDMOZPNVLFJA-UHFFFAOYSA-N
• XLogP: 5.30
• TPSA: 92.37 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	424.49
LogP ≤ 5	5.30
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 5-(5-methoxy-3-pyridinyl)-3-(4-thiophen-3-yl-1H-benzimidazol-2-yl)-1H-pyrazolo[4,3-b]pyridine (CID 139424512) is 5-(5-methoxy-3-pyridinyl)-3-(4-thiophen-3-yl-1H-benzimidazol-2-yl)-1H-pyrazolo[4,3-b]pyridine.

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

The canonical SMILES for 5-(5-methoxy-3-pyridinyl)-3-(4-thiophen-3-yl-1H-benzimidazol-2-yl)-1H-pyrazolo[4,3-b]pyridine is COc1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6ccsc6)cccc5[nH]4)c3n2)c1.

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

The InChIKey is VFIDMOZPNVLFJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16N6OS/c1-30-15-9-14(10-24-11-15)17-5-6-19-21(25-17)22(29-28-19)23-26-18-4-2-3-16(20(18)27-23)13-7-8-31-12-13/h2-12H,1H3,(H,26,27)(H,28,29).

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

5-(5-methoxy-3-pyridinyl)-3-(4-thiophen-3-yl-1H-benzimidazol-2-yl)-1H-pyrazolo[4,3-b]pyridine has a molecular weight of 424.49 g/mol, XLogP of 5.30, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(5-methoxy-3-pyridinyl)-3-(4-thiophen-3-yl-1H-benzimidazol-2-yl)-1H-pyrazolo[4,3-b]pyridine is sourced from PubChem (CID 139424512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).