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

C22H15N7O2 — CID 136947296

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

3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-(5-methoxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridine (PubChem CID 136947296) has the molecular formula C22H15N7O2 and a molecular weight of 409.41 g/mol. Its IUPAC name is 3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-(5-methoxy-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-methoxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridine
• PubChem CID: 136947296
• Molecular Formula: C22H15N7O2
• Molecular Weight: 409.41 g/mol
• Exact Mass: 409.13
• IUPAC Name: 3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-(5-methoxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridine
• SMILES: COc1cncc(-c2cc3c(-c4nc5c(-c6ccoc6)cncc5[nH]4)n[nH]c3cn2)c1
• InChI: InChI=1S/C22H15N7O2/c1-30-14-4-13(6-23-7-14)17-5-15-18(10-25-17)28-29-21(15)22-26-19-9-24-8-16(20(19)27-22)12-2-3-31-11-12/h2-11H,1H3,(H,26,27)(H,28,29)
• InChIKey: VIHWBTYDIQGXGN-UHFFFAOYSA-N
• XLogP: 4.23
• TPSA: 118.40 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	409.41
LogP ≤ 5	4.23
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-(5-methoxy-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-methoxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridine (CID 136947296) is 3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-(5-methoxy-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-methoxy-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-methoxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridine is COc1cncc(-c2cc3c(-c4nc5c(-c6ccoc6)cncc5[nH]4)n[nH]c3cn2)c1.

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

The InChIKey is VIHWBTYDIQGXGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15N7O2/c1-30-14-4-13(6-23-7-14)17-5-15-18(10-25-17)28-29-21(15)22-26-19-9-24-8-16(20(19)27-22)12-2-3-31-11-12/h2-11H,1H3,(H,26,27)(H,28,29).

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

3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-(5-methoxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridine has a molecular weight of 409.41 g/mol, XLogP of 4.23, 4 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)-3H-imidazo[4,5-c]pyridin-2-yl]-5-(5-methoxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridine is sourced from PubChem (CID 136947296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).