3-phenyl-4-[3-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]pyrazol-1-yl]butanoic acid

C24H28N4O2 — CID 10222901

About 3-phenyl-4-[3-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]pyrazol-1-yl]butanoic acid

3-phenyl-4-[3-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]pyrazol-1-yl]butanoic acid (PubChem CID 10222901) has the molecular formula C24H28N4O2 and a molecular weight of 404.51 g/mol. Its IUPAC name is 3-phenyl-4-[3-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]pyrazol-1-yl]butanoic acid.

Molecular Properties

• Compound Name: 3-phenyl-4-[3-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]pyrazol-1-yl]butanoic acid
• PubChem CID: 10222901
• Molecular Formula: C24H28N4O2
• Molecular Weight: 404.51 g/mol
• Exact Mass: 404.22
• IUPAC Name: 3-phenyl-4-[3-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]pyrazol-1-yl]butanoic acid
• SMILES: O=C(O)CC(Cn1ccc(CCCc2ccc3c(n2)NCCC3)n1)c1ccccc1
• InChI: InChI=1S/C24H28N4O2/c29-23(30)16-20(18-6-2-1-3-7-18)17-28-15-13-22(27-28)10-4-9-21-12-11-19-8-5-14-25-24(19)26-21/h1-3,6-7,11-13,15,20H,4-5,8-10,14,16-17H2,(H,25,26)(H,29,30)
• InChIKey: FRZBUBWXQXOKLA-UHFFFAOYSA-N
• XLogP: 4.07
• TPSA: 80.04 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	404.51
LogP ≤ 5	4.07
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-4-[3-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]pyrazol-1-yl]butanoic acid?

The IUPAC name of 3-phenyl-4-[3-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]pyrazol-1-yl]butanoic acid (CID 10222901) is 3-phenyl-4-[3-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]pyrazol-1-yl]butanoic acid.

What is the SMILES notation for 3-phenyl-4-[3-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]pyrazol-1-yl]butanoic acid?

The canonical SMILES for 3-phenyl-4-[3-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]pyrazol-1-yl]butanoic acid is O=C(O)CC(Cn1ccc(CCCc2ccc3c(n2)NCCC3)n1)c1ccccc1.

What is the InChIKey of 3-phenyl-4-[3-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]pyrazol-1-yl]butanoic acid?

The InChIKey is FRZBUBWXQXOKLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O2/c29-23(30)16-20(18-6-2-1-3-7-18)17-28-15-13-22(27-28)10-4-9-21-12-11-19-8-5-14-25-24(19)26-21/h1-3,6-7,11-13,15,20H,4-5,8-10,14,16-17H2,(H,25,26)(H,29,30).

What are the key properties of 3-phenyl-4-[3-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]pyrazol-1-yl]butanoic acid?

3-phenyl-4-[3-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]pyrazol-1-yl]butanoic acid has a molecular weight of 404.51 g/mol, XLogP of 4.07, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-phenyl-4-[3-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]pyrazol-1-yl]butanoic acid is sourced from PubChem (CID 10222901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).