3-dibenzofuran-3-yl-3-[4-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]indazol-1-yl]propanoic acid

C32H28N4O4 — CID 134498284

About 3-dibenzofuran-3-yl-3-[4-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]indazol-1-yl]propanoic acid

3-dibenzofuran-3-yl-3-[4-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]indazol-1-yl]propanoic acid (PubChem CID 134498284) has the molecular formula C32H28N4O4 and a molecular weight of 532.60 g/mol. Its IUPAC name is 3-dibenzofuran-3-yl-3-[4-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]indazol-1-yl]propanoic acid.

Molecular Properties

• Compound Name: 3-dibenzofuran-3-yl-3-[4-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]indazol-1-yl]propanoic acid
• PubChem CID: 134498284
• Molecular Formula: C32H28N4O4
• Molecular Weight: 532.60 g/mol
• Exact Mass: 532.21
• IUPAC Name: 3-dibenzofuran-3-yl-3-[4-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]indazol-1-yl]propanoic acid
• SMILES: O=C(O)CC(c1ccc2c(c1)oc1ccccc12)n1ncc2c(OCCc3ccc4c(n3)NCCC4)cccc21
• InChI: InChI=1S/C32H28N4O4/c37-31(38)18-27(21-11-13-24-23-6-1-2-8-29(23)40-30(24)17-21)36-26-7-3-9-28(25(26)19-34-36)39-16-14-22-12-10-20-5-4-15-33-32(20)35-22/h1-3,6-13,17,19,27H,4-5,14-16,18H2,(H,33,35)(H,37,38)
• InChIKey: OCSGCNOCIUXPTE-UHFFFAOYSA-N
• XLogP: 6.37
• TPSA: 102.41 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	532.60
LogP ≤ 5	6.37
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-dibenzofuran-3-yl-3-[4-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]indazol-1-yl]propanoic acid?

The IUPAC name of 3-dibenzofuran-3-yl-3-[4-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]indazol-1-yl]propanoic acid (CID 134498284) is 3-dibenzofuran-3-yl-3-[4-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]indazol-1-yl]propanoic acid.

What is the SMILES notation for 3-dibenzofuran-3-yl-3-[4-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]indazol-1-yl]propanoic acid?

The canonical SMILES for 3-dibenzofuran-3-yl-3-[4-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]indazol-1-yl]propanoic acid is O=C(O)CC(c1ccc2c(c1)oc1ccccc12)n1ncc2c(OCCc3ccc4c(n3)NCCC4)cccc21.

What is the InChIKey of 3-dibenzofuran-3-yl-3-[4-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]indazol-1-yl]propanoic acid?

The InChIKey is OCSGCNOCIUXPTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H28N4O4/c37-31(38)18-27(21-11-13-24-23-6-1-2-8-29(23)40-30(24)17-21)36-26-7-3-9-28(25(26)19-34-36)39-16-14-22-12-10-20-5-4-15-33-32(20)35-22/h1-3,6-13,17,19,27H,4-5,14-16,18H2,(H,33,35)(H,37,38).

What are the key properties of 3-dibenzofuran-3-yl-3-[4-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]indazol-1-yl]propanoic acid?

3-dibenzofuran-3-yl-3-[4-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]indazol-1-yl]propanoic acid has a molecular weight of 532.60 g/mol, XLogP of 6.37, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-dibenzofuran-3-yl-3-[4-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]indazol-1-yl]propanoic acid is sourced from PubChem (CID 134498284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).