2-methyl-8-[6-[(6-pyrazol-1-yl-2-pyridinyl)oxy]-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine

C25H17N5O2 — CID 140741868

About 2-methyl-8-[6-[(6-pyrazol-1-yl-2-pyridinyl)oxy]-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine

2-methyl-8-[6-[(6-pyrazol-1-yl-2-pyridinyl)oxy]-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine (PubChem CID 140741868) has the molecular formula C25H17N5O2 and a molecular weight of 419.44 g/mol. Its IUPAC name is 2-methyl-8-[6-[(6-pyrazol-1-yl-2-pyridinyl)oxy]-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine.

Molecular Properties

• Compound Name: 2-methyl-8-[6-[(6-pyrazol-1-yl-2-pyridinyl)oxy]-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine
• PubChem CID: 140741868
• Molecular Formula: C25H17N5O2
• Molecular Weight: 419.44 g/mol
• Exact Mass: 419.14
• IUPAC Name: 2-methyl-8-[6-[(6-pyrazol-1-yl-2-pyridinyl)oxy]-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine
• SMILES: Cc1ccc2c(n1)oc1c(-c3cccc(Oc4cccc(-n5cccn5)n4)n3)cccc12
• InChI: InChI=1S/C25H17N5O2/c1-16-12-13-18-17-6-2-7-19(24(17)32-25(18)27-16)20-8-3-10-22(28-20)31-23-11-4-9-21(29-23)30-15-5-14-26-30/h2-15H,1H3
• InChIKey: UJCXTCQWIOQTQB-UHFFFAOYSA-N
• XLogP: 5.72
• TPSA: 78.86 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	419.44
LogP ≤ 5	5.72
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-methyl-8-[6-[(6-pyrazol-1-yl-2-pyridinyl)oxy]-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine?

The IUPAC name of 2-methyl-8-[6-[(6-pyrazol-1-yl-2-pyridinyl)oxy]-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine (CID 140741868) is 2-methyl-8-[6-[(6-pyrazol-1-yl-2-pyridinyl)oxy]-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine.

What is the SMILES notation for 2-methyl-8-[6-[(6-pyrazol-1-yl-2-pyridinyl)oxy]-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine?

The canonical SMILES for 2-methyl-8-[6-[(6-pyrazol-1-yl-2-pyridinyl)oxy]-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine is Cc1ccc2c(n1)oc1c(-c3cccc(Oc4cccc(-n5cccn5)n4)n3)cccc12.

What is the InChIKey of 2-methyl-8-[6-[(6-pyrazol-1-yl-2-pyridinyl)oxy]-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine?

The InChIKey is UJCXTCQWIOQTQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17N5O2/c1-16-12-13-18-17-6-2-7-19(24(17)32-25(18)27-16)20-8-3-10-22(28-20)31-23-11-4-9-21(29-23)30-15-5-14-26-30/h2-15H,1H3.

What are the key properties of 2-methyl-8-[6-[(6-pyrazol-1-yl-2-pyridinyl)oxy]-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine?

2-methyl-8-[6-[(6-pyrazol-1-yl-2-pyridinyl)oxy]-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine has a molecular weight of 419.44 g/mol, XLogP of 5.72, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methyl-8-[6-[(6-pyrazol-1-yl-2-pyridinyl)oxy]-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine is sourced from PubChem (CID 140741868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).