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

C22H14N6S — CID 137489326

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

5-pyridin-3-yl-3-(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridine (PubChem CID 137489326) has the molecular formula C22H14N6S and a molecular weight of 394.46 g/mol. Its IUPAC name is 5-pyridin-3-yl-3-(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridine.

Molecular Properties

• Compound Name: 5-pyridin-3-yl-3-(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridine
• PubChem CID: 137489326
• Molecular Formula: C22H14N6S
• Molecular Weight: 394.46 g/mol
• Exact Mass: 394.10
• IUPAC Name: 5-pyridin-3-yl-3-(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridine
• SMILES: c1cncc(-c2ccc3[nH]nc(-c4cc5c(-c6ccsc6)ccnc5[nH]4)c3n2)c1
• InChI: InChI=1S/C22H14N6S/c1-2-13(11-23-7-1)17-3-4-18-20(25-17)21(28-27-18)19-10-16-15(14-6-9-29-12-14)5-8-24-22(16)26-19/h1-12H,(H,24,26)(H,27,28)
• InChIKey: NKOTUSNMAMYAEX-UHFFFAOYSA-N
• XLogP: 5.29
• TPSA: 83.14 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	394.46
LogP ≤ 5	5.29
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 5-pyridin-3-yl-3-(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridine (CID 137489326) is 5-pyridin-3-yl-3-(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridine.

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

The canonical SMILES for 5-pyridin-3-yl-3-(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridine is c1cncc(-c2ccc3[nH]nc(-c4cc5c(-c6ccsc6)ccnc5[nH]4)c3n2)c1.

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

The InChIKey is NKOTUSNMAMYAEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14N6S/c1-2-13(11-23-7-1)17-3-4-18-20(25-17)21(28-27-18)19-10-16-15(14-6-9-29-12-14)5-8-24-22(16)26-19/h1-12H,(H,24,26)(H,27,28).

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

5-pyridin-3-yl-3-(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridine has a molecular weight of 394.46 g/mol, XLogP of 5.29, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-pyridin-3-yl-3-(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridine is sourced from PubChem (CID 137489326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).