3-[7-(furan-3-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-pyrimidin-5-yl-1H-pyrazolo[4,3-b]pyridine

C20H12N8O — CID 137313146

About 3-[7-(furan-3-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-pyrimidin-5-yl-1H-pyrazolo[4,3-b]pyridine

3-[7-(furan-3-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-pyrimidin-5-yl-1H-pyrazolo[4,3-b]pyridine (PubChem CID 137313146) has the molecular formula C20H12N8O and a molecular weight of 380.37 g/mol. Its IUPAC name is 3-[7-(furan-3-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-pyrimidin-5-yl-1H-pyrazolo[4,3-b]pyridine.

Molecular Properties

• Compound Name: 3-[7-(furan-3-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-pyrimidin-5-yl-1H-pyrazolo[4,3-b]pyridine
• PubChem CID: 137313146
• Molecular Formula: C20H12N8O
• Molecular Weight: 380.37 g/mol
• Exact Mass: 380.11
• IUPAC Name: 3-[7-(furan-3-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-pyrimidin-5-yl-1H-pyrazolo[4,3-b]pyridine
• SMILES: c1ncc(-c2ccc3[nH]nc(-c4nc5nccc(-c6ccoc6)c5[nH]4)c3n2)cn1
• InChI: InChI=1S/C20H12N8O/c1-2-15-17(24-14(1)12-7-21-10-22-8-12)18(28-27-15)20-25-16-13(11-4-6-29-9-11)3-5-23-19(16)26-20/h1-10H,(H,27,28)(H,23,25,26)
• InChIKey: DTVIFAXZPQKUHX-UHFFFAOYSA-N
• XLogP: 3.61
• TPSA: 122.06 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	380.37
LogP ≤ 5	3.61
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-[7-(furan-3-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-pyrimidin-5-yl-1H-pyrazolo[4,3-b]pyridine?

The IUPAC name of 3-[7-(furan-3-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-pyrimidin-5-yl-1H-pyrazolo[4,3-b]pyridine (CID 137313146) is 3-[7-(furan-3-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-pyrimidin-5-yl-1H-pyrazolo[4,3-b]pyridine.

What is the SMILES notation for 3-[7-(furan-3-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-pyrimidin-5-yl-1H-pyrazolo[4,3-b]pyridine?

The canonical SMILES for 3-[7-(furan-3-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-pyrimidin-5-yl-1H-pyrazolo[4,3-b]pyridine is c1ncc(-c2ccc3[nH]nc(-c4nc5nccc(-c6ccoc6)c5[nH]4)c3n2)cn1.

What is the InChIKey of 3-[7-(furan-3-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-pyrimidin-5-yl-1H-pyrazolo[4,3-b]pyridine?

The InChIKey is DTVIFAXZPQKUHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12N8O/c1-2-15-17(24-14(1)12-7-21-10-22-8-12)18(28-27-15)20-25-16-13(11-4-6-29-9-11)3-5-23-19(16)26-20/h1-10H,(H,27,28)(H,23,25,26).

What are the key properties of 3-[7-(furan-3-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-pyrimidin-5-yl-1H-pyrazolo[4,3-b]pyridine?

3-[7-(furan-3-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-pyrimidin-5-yl-1H-pyrazolo[4,3-b]pyridine has a molecular weight of 380.37 g/mol, XLogP of 3.61, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[7-(furan-3-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-pyrimidin-5-yl-1H-pyrazolo[4,3-b]pyridine is sourced from PubChem (CID 137313146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).