ethyl 3-pyridin-4-yl-3-[5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]indol-1-yl]propanoate

C28H30N4O3 — CID 67426707

About ethyl 3-pyridin-4-yl-3-[5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]indol-1-yl]propanoate

ethyl 3-pyridin-4-yl-3-[5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]indol-1-yl]propanoate (PubChem CID 67426707) has the molecular formula C28H30N4O3 and a molecular weight of 470.57 g/mol. Its IUPAC name is ethyl 3-pyridin-4-yl-3-[5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]indol-1-yl]propanoate.

Molecular Properties

• Compound Name: ethyl 3-pyridin-4-yl-3-[5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]indol-1-yl]propanoate
• PubChem CID: 67426707
• Molecular Formula: C28H30N4O3
• Molecular Weight: 470.57 g/mol
• Exact Mass: 470.23
• IUPAC Name: ethyl 3-pyridin-4-yl-3-[5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]indol-1-yl]propanoate
• SMILES: CCOC(=O)CC(c1ccncc1)n1ccc2cc(OCCc3ccc4c(n3)NCCC4)ccc21
• InChI: InChI=1S/C28H30N4O3/c1-2-34-27(33)19-26(20-9-14-29-15-10-20)32-16-11-22-18-24(7-8-25(22)32)35-17-12-23-6-5-21-4-3-13-30-28(21)31-23/h5-11,14-16,18,26H,2-4,12-13,17,19H2,1H3,(H,30,31)
• InChIKey: FNIKYDZRWXTAGY-UHFFFAOYSA-N
• XLogP: 4.95
• TPSA: 78.27 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	470.57
LogP ≤ 5	4.95
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of ethyl 3-pyridin-4-yl-3-[5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]indol-1-yl]propanoate?

The IUPAC name of ethyl 3-pyridin-4-yl-3-[5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]indol-1-yl]propanoate (CID 67426707) is ethyl 3-pyridin-4-yl-3-[5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]indol-1-yl]propanoate.

What is the SMILES notation for ethyl 3-pyridin-4-yl-3-[5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]indol-1-yl]propanoate?

The canonical SMILES for ethyl 3-pyridin-4-yl-3-[5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]indol-1-yl]propanoate is CCOC(=O)CC(c1ccncc1)n1ccc2cc(OCCc3ccc4c(n3)NCCC4)ccc21.

What is the InChIKey of ethyl 3-pyridin-4-yl-3-[5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]indol-1-yl]propanoate?

The InChIKey is FNIKYDZRWXTAGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N4O3/c1-2-34-27(33)19-26(20-9-14-29-15-10-20)32-16-11-22-18-24(7-8-25(22)32)35-17-12-23-6-5-21-4-3-13-30-28(21)31-23/h5-11,14-16,18,26H,2-4,12-13,17,19H2,1H3,(H,30,31).

What are the key properties of ethyl 3-pyridin-4-yl-3-[5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]indol-1-yl]propanoate?

ethyl 3-pyridin-4-yl-3-[5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]indol-1-yl]propanoate has a molecular weight of 470.57 g/mol, XLogP of 4.95, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 3-pyridin-4-yl-3-[5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]indol-1-yl]propanoate is sourced from PubChem (CID 67426707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).