3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-(5-piperidin-4-yloxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridine

C26H22N8O2 — CID 136947323

About 3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-(5-piperidin-4-yloxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridine

3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-(5-piperidin-4-yloxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridine (PubChem CID 136947323) has the molecular formula C26H22N8O2 and a molecular weight of 478.52 g/mol. Its IUPAC name is 3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-(5-piperidin-4-yloxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridine.

Molecular Properties

• Compound Name: 3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-(5-piperidin-4-yloxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridine
• PubChem CID: 136947323
• Molecular Formula: C26H22N8O2
• Molecular Weight: 478.52 g/mol
• Exact Mass: 478.19
• IUPAC Name: 3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-(5-piperidin-4-yloxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridine
• SMILES: c1cc(-c2cncc3[nH]c(-c4n[nH]c5cnc(-c6cncc(OC7CCNCC7)c6)cc45)nc23)co1
• InChI: InChI=1S/C26H22N8O2/c1-4-27-5-2-17(1)36-18-7-16(9-28-10-18)21-8-19-22(13-30-21)33-34-25(19)26-31-23-12-29-11-20(24(23)32-26)15-3-6-35-14-15/h3,6-14,17,27H,1-2,4-5H2,(H,31,32)(H,33,34)
• InChIKey: BFXWNWDKKIMAPP-UHFFFAOYSA-N
• XLogP: 4.35
• TPSA: 130.43 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	478.52
LogP ≤ 5	4.35
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-(5-piperidin-4-yloxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridine (CID 136947323) is 3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-(5-piperidin-4-yloxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridine.

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

The canonical SMILES for 3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-(5-piperidin-4-yloxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridine is c1cc(-c2cncc3[nH]c(-c4n[nH]c5cnc(-c6cncc(OC7CCNCC7)c6)cc45)nc23)co1.

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

The InChIKey is BFXWNWDKKIMAPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N8O2/c1-4-27-5-2-17(1)36-18-7-16(9-28-10-18)21-8-19-22(13-30-21)33-34-25(19)26-31-23-12-29-11-20(24(23)32-26)15-3-6-35-14-15/h3,6-14,17,27H,1-2,4-5H2,(H,31,32)(H,33,34).

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

3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-(5-piperidin-4-yloxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridine has a molecular weight of 478.52 g/mol, XLogP of 4.35, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-(5-piperidin-4-yloxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridine is sourced from PubChem (CID 136947323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).