3-(5-methyl-3-pyridinyl)-3-[5-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]pyrazol-1-yl]propanoic acid

C24H28N4O2 — CID 148704711

About 3-(5-methyl-3-pyridinyl)-3-[5-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]pyrazol-1-yl]propanoic acid

3-(5-methyl-3-pyridinyl)-3-[5-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]pyrazol-1-yl]propanoic acid (PubChem CID 148704711) has the molecular formula C24H28N4O2 and a molecular weight of 404.51 g/mol. Its IUPAC name is 3-(5-methyl-3-pyridinyl)-3-[5-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]pyrazol-1-yl]propanoic acid.

Molecular Properties

• Compound Name: 3-(5-methyl-3-pyridinyl)-3-[5-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]pyrazol-1-yl]propanoic acid
• PubChem CID: 148704711
• Molecular Formula: C24H28N4O2
• Molecular Weight: 404.51 g/mol
• Exact Mass: 404.22
• IUPAC Name: 3-(5-methyl-3-pyridinyl)-3-[5-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]pyrazol-1-yl]propanoic acid
• SMILES: Cc1cncc(C(CC(=O)O)n2nccc2CCCc2ccc3c(n2)CCCC3)c1
• InChI: InChI=1S/C24H28N4O2/c1-17-13-19(16-25-15-17)23(14-24(29)30)28-21(11-12-26-28)7-4-6-20-10-9-18-5-2-3-8-22(18)27-20/h9-13,15-16,23H,2-8,14H2,1H3,(H,29,30)
• InChIKey: NWAUXWNLQGUTAY-UHFFFAOYSA-N
• XLogP: 4.10
• TPSA: 80.90 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	404.51
LogP ≤ 5	4.10
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-(5-methyl-3-pyridinyl)-3-[5-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]pyrazol-1-yl]propanoic acid?

The IUPAC name of 3-(5-methyl-3-pyridinyl)-3-[5-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]pyrazol-1-yl]propanoic acid (CID 148704711) is 3-(5-methyl-3-pyridinyl)-3-[5-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]pyrazol-1-yl]propanoic acid.

What is the SMILES notation for 3-(5-methyl-3-pyridinyl)-3-[5-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]pyrazol-1-yl]propanoic acid?

The canonical SMILES for 3-(5-methyl-3-pyridinyl)-3-[5-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]pyrazol-1-yl]propanoic acid is Cc1cncc(C(CC(=O)O)n2nccc2CCCc2ccc3c(n2)CCCC3)c1.

What is the InChIKey of 3-(5-methyl-3-pyridinyl)-3-[5-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]pyrazol-1-yl]propanoic acid?

The InChIKey is NWAUXWNLQGUTAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O2/c1-17-13-19(16-25-15-17)23(14-24(29)30)28-21(11-12-26-28)7-4-6-20-10-9-18-5-2-3-8-22(18)27-20/h9-13,15-16,23H,2-8,14H2,1H3,(H,29,30).

What are the key properties of 3-(5-methyl-3-pyridinyl)-3-[5-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]pyrazol-1-yl]propanoic acid?

3-(5-methyl-3-pyridinyl)-3-[5-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]pyrazol-1-yl]propanoic acid has a molecular weight of 404.51 g/mol, XLogP of 4.10, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(5-methyl-3-pyridinyl)-3-[5-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]pyrazol-1-yl]propanoic acid is sourced from PubChem (CID 148704711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).