8-[5-(3-fluorophenyl)-2-pyridinyl]-7-methyl-2-propan-2-yl-[1]benzofuro[2,3-b]pyridine

C26H21FN2O — CID 90138381

About 8-[5-(3-fluorophenyl)-2-pyridinyl]-7-methyl-2-propan-2-yl-[1]benzofuro[2,3-b]pyridine

8-[5-(3-fluorophenyl)-2-pyridinyl]-7-methyl-2-propan-2-yl-[1]benzofuro[2,3-b]pyridine (PubChem CID 90138381) has the molecular formula C26H21FN2O and a molecular weight of 396.47 g/mol. Its IUPAC name is 8-[5-(3-fluorophenyl)-2-pyridinyl]-7-methyl-2-propan-2-yl-[1]benzofuro[2,3-b]pyridine.

Molecular Properties

• Compound Name: 8-[5-(3-fluorophenyl)-2-pyridinyl]-7-methyl-2-propan-2-yl-[1]benzofuro[2,3-b]pyridine
• PubChem CID: 90138381
• Molecular Formula: C26H21FN2O
• Molecular Weight: 396.47 g/mol
• Exact Mass: 396.16
• IUPAC Name: 8-[5-(3-fluorophenyl)-2-pyridinyl]-7-methyl-2-propan-2-yl-[1]benzofuro[2,3-b]pyridine
• SMILES: Cc1ccc2c(oc3nc(C(C)C)ccc32)c1-c1ccc(-c2cccc(F)c2)cn1
• InChI: InChI=1S/C26H21FN2O/c1-15(2)22-12-10-21-20-9-7-16(3)24(25(20)30-26(21)29-22)23-11-8-18(14-28-23)17-5-4-6-19(27)13-17/h4-15H,1-3H3
• InChIKey: MOQRVSJJZCBOAY-UHFFFAOYSA-N
• XLogP: 7.28
• TPSA: 38.92 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	396.47
LogP ≤ 5	7.28
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 8-[5-(3-fluorophenyl)-2-pyridinyl]-7-methyl-2-propan-2-yl-[1]benzofuro[2,3-b]pyridine?

The IUPAC name of 8-[5-(3-fluorophenyl)-2-pyridinyl]-7-methyl-2-propan-2-yl-[1]benzofuro[2,3-b]pyridine (CID 90138381) is 8-[5-(3-fluorophenyl)-2-pyridinyl]-7-methyl-2-propan-2-yl-[1]benzofuro[2,3-b]pyridine.

What is the SMILES notation for 8-[5-(3-fluorophenyl)-2-pyridinyl]-7-methyl-2-propan-2-yl-[1]benzofuro[2,3-b]pyridine?

The canonical SMILES for 8-[5-(3-fluorophenyl)-2-pyridinyl]-7-methyl-2-propan-2-yl-[1]benzofuro[2,3-b]pyridine is Cc1ccc2c(oc3nc(C(C)C)ccc32)c1-c1ccc(-c2cccc(F)c2)cn1.

What is the InChIKey of 8-[5-(3-fluorophenyl)-2-pyridinyl]-7-methyl-2-propan-2-yl-[1]benzofuro[2,3-b]pyridine?

The InChIKey is MOQRVSJJZCBOAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21FN2O/c1-15(2)22-12-10-21-20-9-7-16(3)24(25(20)30-26(21)29-22)23-11-8-18(14-28-23)17-5-4-6-19(27)13-17/h4-15H,1-3H3.

What are the key properties of 8-[5-(3-fluorophenyl)-2-pyridinyl]-7-methyl-2-propan-2-yl-[1]benzofuro[2,3-b]pyridine?

8-[5-(3-fluorophenyl)-2-pyridinyl]-7-methyl-2-propan-2-yl-[1]benzofuro[2,3-b]pyridine has a molecular weight of 396.47 g/mol, XLogP of 7.28, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[5-(3-fluorophenyl)-2-pyridinyl]-7-methyl-2-propan-2-yl-[1]benzofuro[2,3-b]pyridine is sourced from PubChem (CID 90138381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).