8-[4-[4,6-di(propan-2-yl)-2-pyridinyl]-2-pyridinyl]-2-methyl-[1]benzofuro[2,3-b]pyridine

C28H27N3O — CID 170365401

About 8-[4-[4,6-di(propan-2-yl)-2-pyridinyl]-2-pyridinyl]-2-methyl-[1]benzofuro[2,3-b]pyridine

8-[4-[4,6-di(propan-2-yl)-2-pyridinyl]-2-pyridinyl]-2-methyl-[1]benzofuro[2,3-b]pyridine (PubChem CID 170365401) has the molecular formula C28H27N3O and a molecular weight of 421.54 g/mol. Its IUPAC name is 8-[4-[4,6-di(propan-2-yl)-2-pyridinyl]-2-pyridinyl]-2-methyl-[1]benzofuro[2,3-b]pyridine.

Molecular Properties

• Compound Name: 8-[4-[4,6-di(propan-2-yl)-2-pyridinyl]-2-pyridinyl]-2-methyl-[1]benzofuro[2,3-b]pyridine
• PubChem CID: 170365401
• Molecular Formula: C28H27N3O
• Molecular Weight: 421.54 g/mol
• Exact Mass: 421.22
• IUPAC Name: 8-[4-[4,6-di(propan-2-yl)-2-pyridinyl]-2-pyridinyl]-2-methyl-[1]benzofuro[2,3-b]pyridine
• SMILES: Cc1ccc2c(n1)oc1c(-c3cc(-c4cc(C(C)C)cc(C(C)C)n4)ccn3)cccc12
• InChI: InChI=1S/C28H27N3O/c1-16(2)20-14-24(17(3)4)31-25(15-20)19-11-12-29-26(13-19)23-8-6-7-21-22-10-9-18(5)30-28(22)32-27(21)23/h6-17H,1-5H3
• InChIKey: HBRWUYJMQQYBNZ-UHFFFAOYSA-N
• XLogP: 7.66
• TPSA: 51.81 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	421.54
LogP ≤ 5	7.66
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 8-[4-[4,6-di(propan-2-yl)-2-pyridinyl]-2-pyridinyl]-2-methyl-[1]benzofuro[2,3-b]pyridine?

The IUPAC name of 8-[4-[4,6-di(propan-2-yl)-2-pyridinyl]-2-pyridinyl]-2-methyl-[1]benzofuro[2,3-b]pyridine (CID 170365401) is 8-[4-[4,6-di(propan-2-yl)-2-pyridinyl]-2-pyridinyl]-2-methyl-[1]benzofuro[2,3-b]pyridine.

What is the SMILES notation for 8-[4-[4,6-di(propan-2-yl)-2-pyridinyl]-2-pyridinyl]-2-methyl-[1]benzofuro[2,3-b]pyridine?

The canonical SMILES for 8-[4-[4,6-di(propan-2-yl)-2-pyridinyl]-2-pyridinyl]-2-methyl-[1]benzofuro[2,3-b]pyridine is Cc1ccc2c(n1)oc1c(-c3cc(-c4cc(C(C)C)cc(C(C)C)n4)ccn3)cccc12.

What is the InChIKey of 8-[4-[4,6-di(propan-2-yl)-2-pyridinyl]-2-pyridinyl]-2-methyl-[1]benzofuro[2,3-b]pyridine?

The InChIKey is HBRWUYJMQQYBNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N3O/c1-16(2)20-14-24(17(3)4)31-25(15-20)19-11-12-29-26(13-19)23-8-6-7-21-22-10-9-18(5)30-28(22)32-27(21)23/h6-17H,1-5H3.

What are the key properties of 8-[4-[4,6-di(propan-2-yl)-2-pyridinyl]-2-pyridinyl]-2-methyl-[1]benzofuro[2,3-b]pyridine?

8-[4-[4,6-di(propan-2-yl)-2-pyridinyl]-2-pyridinyl]-2-methyl-[1]benzofuro[2,3-b]pyridine has a molecular weight of 421.54 g/mol, XLogP of 7.66, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[4-[4,6-di(propan-2-yl)-2-pyridinyl]-2-pyridinyl]-2-methyl-[1]benzofuro[2,3-b]pyridine is sourced from PubChem (CID 170365401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).