7-[4-(diethylamino)-2-ethoxyphenyl]-7-[1-ethyl-2-(2-methylpropyl)indol-3-yl]furo[3,4-b]pyridin-5-one

C33H39N3O3 — CID 22644157

About 7-[4-(diethylamino)-2-ethoxyphenyl]-7-[1-ethyl-2-(2-methylpropyl)indol-3-yl]furo[3,4-b]pyridin-5-one

7-[4-(diethylamino)-2-ethoxyphenyl]-7-[1-ethyl-2-(2-methylpropyl)indol-3-yl]furo[3,4-b]pyridin-5-one (PubChem CID 22644157) has the molecular formula C33H39N3O3 and a molecular weight of 525.69 g/mol. Its IUPAC name is 7-[4-(diethylamino)-2-ethoxyphenyl]-7-[1-ethyl-2-(2-methylpropyl)indol-3-yl]furo[3,4-b]pyridin-5-one.

Molecular Properties

• Compound Name: 7-[4-(diethylamino)-2-ethoxyphenyl]-7-[1-ethyl-2-(2-methylpropyl)indol-3-yl]furo[3,4-b]pyridin-5-one
• PubChem CID: 22644157
• Molecular Formula: C33H39N3O3
• Molecular Weight: 525.69 g/mol
• Exact Mass: 525.30
• IUPAC Name: 7-[4-(diethylamino)-2-ethoxyphenyl]-7-[1-ethyl-2-(2-methylpropyl)indol-3-yl]furo[3,4-b]pyridin-5-one
• SMILES: CCOc1cc(N(CC)CC)ccc1C1(c2c(CC(C)C)n(CC)c3ccccc23)OC(=O)c2cccnc21
• InChI: InChI=1S/C33H39N3O3/c1-7-35(8-2)23-17-18-26(29(21-23)38-10-4)33(31-25(32(37)39-33)15-13-19-34-31)30-24-14-11-12-16-27(24)36(9-3)28(30)20-22(5)6/h11-19,21-22H,7-10,20H2,1-6H3
• InChIKey: BZGVJULALYZNQH-UHFFFAOYSA-N
• XLogP: 6.96
• TPSA: 56.59 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	525.69
LogP ≤ 5	6.96
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 7-[4-(diethylamino)-2-ethoxyphenyl]-7-[1-ethyl-2-(2-methylpropyl)indol-3-yl]furo[3,4-b]pyridin-5-one?

The IUPAC name of 7-[4-(diethylamino)-2-ethoxyphenyl]-7-[1-ethyl-2-(2-methylpropyl)indol-3-yl]furo[3,4-b]pyridin-5-one (CID 22644157) is 7-[4-(diethylamino)-2-ethoxyphenyl]-7-[1-ethyl-2-(2-methylpropyl)indol-3-yl]furo[3,4-b]pyridin-5-one.

What is the SMILES notation for 7-[4-(diethylamino)-2-ethoxyphenyl]-7-[1-ethyl-2-(2-methylpropyl)indol-3-yl]furo[3,4-b]pyridin-5-one?

The canonical SMILES for 7-[4-(diethylamino)-2-ethoxyphenyl]-7-[1-ethyl-2-(2-methylpropyl)indol-3-yl]furo[3,4-b]pyridin-5-one is CCOc1cc(N(CC)CC)ccc1C1(c2c(CC(C)C)n(CC)c3ccccc23)OC(=O)c2cccnc21.

What is the InChIKey of 7-[4-(diethylamino)-2-ethoxyphenyl]-7-[1-ethyl-2-(2-methylpropyl)indol-3-yl]furo[3,4-b]pyridin-5-one?

The InChIKey is BZGVJULALYZNQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H39N3O3/c1-7-35(8-2)23-17-18-26(29(21-23)38-10-4)33(31-25(32(37)39-33)15-13-19-34-31)30-24-14-11-12-16-27(24)36(9-3)28(30)20-22(5)6/h11-19,21-22H,7-10,20H2,1-6H3.

What are the key properties of 7-[4-(diethylamino)-2-ethoxyphenyl]-7-[1-ethyl-2-(2-methylpropyl)indol-3-yl]furo[3,4-b]pyridin-5-one?

7-[4-(diethylamino)-2-ethoxyphenyl]-7-[1-ethyl-2-(2-methylpropyl)indol-3-yl]furo[3,4-b]pyridin-5-one has a molecular weight of 525.69 g/mol, XLogP of 6.96, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[4-(diethylamino)-2-ethoxyphenyl]-7-[1-ethyl-2-(2-methylpropyl)indol-3-yl]furo[3,4-b]pyridin-5-one is sourced from PubChem (CID 22644157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).