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

C28H19N7O2 — CID 136937373

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

3-[7-(furan-3-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-(5-phenylmethoxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridine (PubChem CID 136937373) has the molecular formula C28H19N7O2 and a molecular weight of 485.51 g/mol. Its IUPAC name is 3-[7-(furan-3-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-(5-phenylmethoxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridine.

Molecular Properties

• Compound Name: 3-[7-(furan-3-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-(5-phenylmethoxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridine
• PubChem CID: 136937373
• Molecular Formula: C28H19N7O2
• Molecular Weight: 485.51 g/mol
• Exact Mass: 485.16
• IUPAC Name: 3-[7-(furan-3-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-(5-phenylmethoxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridine
• SMILES: c1ccc(COc2cncc(-c3cc4c(-c5nc6nccc(-c7ccoc7)c6[nH]5)n[nH]c4cn3)c2)cc1
• InChI: InChI=1S/C28H19N7O2/c1-2-4-17(5-3-1)15-37-20-10-19(12-29-13-20)23-11-22-24(14-31-23)34-35-26(22)28-32-25-21(18-7-9-36-16-18)6-8-30-27(25)33-28/h1-14,16H,15H2,(H,34,35)(H,30,32,33)
• InChIKey: KEBZXGYRNKHBQO-UHFFFAOYSA-N
• XLogP: 5.80
• TPSA: 118.40 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	485.51
LogP ≤ 5	5.80
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-(5-phenylmethoxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridine?

The IUPAC name of 3-[7-(furan-3-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-(5-phenylmethoxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridine (CID 136937373) is 3-[7-(furan-3-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-(5-phenylmethoxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridine.

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

The canonical SMILES for 3-[7-(furan-3-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-(5-phenylmethoxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridine is c1ccc(COc2cncc(-c3cc4c(-c5nc6nccc(-c7ccoc7)c6[nH]5)n[nH]c4cn3)c2)cc1.

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

The InChIKey is KEBZXGYRNKHBQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H19N7O2/c1-2-4-17(5-3-1)15-37-20-10-19(12-29-13-20)23-11-22-24(14-31-23)34-35-26(22)28-32-25-21(18-7-9-36-16-18)6-8-30-27(25)33-28/h1-14,16H,15H2,(H,34,35)(H,30,32,33).

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

3-[7-(furan-3-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-(5-phenylmethoxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridine has a molecular weight of 485.51 g/mol, XLogP of 5.80, 6 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-(5-phenylmethoxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridine is sourced from PubChem (CID 136937373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).