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

C20H22N4O3 — CID 175756478

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

3-[3-deuterio-5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]indazol-1-yl]propanoic acid (PubChem CID 175756478) has the molecular formula C20H22N4O3 and a molecular weight of 367.43 g/mol. Its IUPAC name is 3-[3-deuterio-5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]indazol-1-yl]propanoic acid.

Molecular Properties

• Compound Name: 3-[3-deuterio-5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]indazol-1-yl]propanoic acid
• PubChem CID: 175756478
• Molecular Formula: C20H22N4O3
• Molecular Weight: 367.43 g/mol
• Exact Mass: 367.18
• IUPAC Name: 3-[3-deuterio-5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]indazol-1-yl]propanoic acid
• SMILES: [2H]c1nn(CCC(=O)O)c2ccc(OCCc3ccc4c(n3)NCCC4)cc12
• InChI: InChI=1S/C20H22N4O3/c25-19(26)7-10-24-18-6-5-17(12-15(18)13-22-24)27-11-8-16-4-3-14-2-1-9-21-20(14)23-16/h3-6,12-13H,1-2,7-11H2,(H,21,23)(H,25,26)/i13D
• InChIKey: WAFRPEZPGRKJLO-YSOHJTORSA-N
• XLogP: 2.89
• TPSA: 89.27 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	367.43
LogP ≤ 5	2.89
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 3-[3-deuterio-5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]indazol-1-yl]propanoic acid (CID 175756478) is 3-[3-deuterio-5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]indazol-1-yl]propanoic acid.

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

The canonical SMILES for 3-[3-deuterio-5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]indazol-1-yl]propanoic acid is [2H]c1nn(CCC(=O)O)c2ccc(OCCc3ccc4c(n3)NCCC4)cc12.

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

The InChIKey is WAFRPEZPGRKJLO-YSOHJTORSA-N. The full InChI is InChI=1S/C20H22N4O3/c25-19(26)7-10-24-18-6-5-17(12-15(18)13-22-24)27-11-8-16-4-3-14-2-1-9-21-20(14)23-16/h3-6,12-13H,1-2,7-11H2,(H,21,23)(H,25,26)/i13D.

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

3-[3-deuterio-5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]indazol-1-yl]propanoic acid has a molecular weight of 367.43 g/mol, XLogP of 2.89, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[3-deuterio-5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]indazol-1-yl]propanoic acid is sourced from PubChem (CID 175756478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).