7-(2-ethoxy-4-piperidin-1-ylphenyl)-7-(1-ethyl-2-methylindol-3-yl)furo[3,4-b]pyridin-5-one

C₃₁H₃₃N₃O₃ — CID 154212353

About 7-(2-ethoxy-4-piperidin-1-ylphenyl)-7-(1-ethyl-2-methylindol-3-yl)furo[3,4-b]pyridin-5-one

7-(2-ethoxy-4-piperidin-1-ylphenyl)-7-(1-ethyl-2-methylindol-3-yl)furo[3,4-b]pyridin-5-one (PubChem CID 154212353) has the molecular formula C₃₁H₃₃N₃O₃ and a molecular weight of 495.62 g/mol. Its IUPAC name is 7-(2-ethoxy-4-piperidin-1-ylphenyl)-7-(1-ethyl-2-methylindol-3-yl)furo[3,4-b]pyridin-5-one.

Molecular Properties

• Compound Name: 7-(2-ethoxy-4-piperidin-1-ylphenyl)-7-(1-ethyl-2-methylindol-3-yl)furo[3,4-b]pyridin-5-one
• PubChem CID: 154212353
• Molecular Formula: C₃₁H₃₃N₃O₃
• Molecular Weight: 495.62 g/mol
• Exact Mass: 495.25
• IUPAC Name: 7-(2-ethoxy-4-piperidin-1-ylphenyl)-7-(1-ethyl-2-methylindol-3-yl)furo[3,4-b]pyridin-5-one
• SMILES: CCOc1cc(N2CCCCC2)ccc1C1(c2c(C)n(CC)c3ccccc23)OC(=O)c2cccnc21
• InChI: InChI=1S/C31H33N3O3/c1-4-34-21(3)28(23-12-7-8-14-26(23)34)31(29-24(30(35)37-31)13-11-17-32-29)25-16-15-22(20-27(25)36-5-2)33-18-9-6-10-19-33/h7-8,11-17,20H,4-6,9-10,18-19H2,1-3H3
• InChIKey: CKNKKMLZYGHJGW-UHFFFAOYSA-N
• XLogP: 6.22
• TPSA: 56.59 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	495.62
LogP ≤ 5	6.22
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 7-(2-ethoxy-4-piperidin-1-ylphenyl)-7-(1-ethyl-2-methylindol-3-yl)furo[3,4-b]pyridin-5-one?

The IUPAC name of 7-(2-ethoxy-4-piperidin-1-ylphenyl)-7-(1-ethyl-2-methylindol-3-yl)furo[3,4-b]pyridin-5-one (CID 154212353) is 7-(2-ethoxy-4-piperidin-1-ylphenyl)-7-(1-ethyl-2-methylindol-3-yl)furo[3,4-b]pyridin-5-one.

What is the SMILES notation for 7-(2-ethoxy-4-piperidin-1-ylphenyl)-7-(1-ethyl-2-methylindol-3-yl)furo[3,4-b]pyridin-5-one?

The canonical SMILES for 7-(2-ethoxy-4-piperidin-1-ylphenyl)-7-(1-ethyl-2-methylindol-3-yl)furo[3,4-b]pyridin-5-one is CCOc1cc(N2CCCCC2)ccc1C1(c2c(C)n(CC)c3ccccc23)OC(=O)c2cccnc21.

What is the InChIKey of 7-(2-ethoxy-4-piperidin-1-ylphenyl)-7-(1-ethyl-2-methylindol-3-yl)furo[3,4-b]pyridin-5-one?

The InChIKey is CKNKKMLZYGHJGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H33N3O3/c1-4-34-21(3)28(23-12-7-8-14-26(23)34)31(29-24(30(35)37-31)13-11-17-32-29)25-16-15-22(20-27(25)36-5-2)33-18-9-6-10-19-33/h7-8,11-17,20H,4-6,9-10,18-19H2,1-3H3.

What are the key properties of 7-(2-ethoxy-4-piperidin-1-ylphenyl)-7-(1-ethyl-2-methylindol-3-yl)furo[3,4-b]pyridin-5-one?

7-(2-ethoxy-4-piperidin-1-ylphenyl)-7-(1-ethyl-2-methylindol-3-yl)furo[3,4-b]pyridin-5-one has a molecular weight of 495.62 g/mol, XLogP of 6.22, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(2-ethoxy-4-piperidin-1-ylphenyl)-7-(1-ethyl-2-methylindol-3-yl)furo[3,4-b]pyridin-5-one is sourced from PubChem (CID 154212353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 154212353 — identifiers, structure, computed properties (public domain)

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