4-[5-(4-fluorophenyl)-6-propan-2-yl-1H-pyrazolo[4,3-g]quinolin-7-yl]benzoic acid

C26H20FN3O2 — CID 156879828

About 4-[5-(4-fluorophenyl)-6-propan-2-yl-1H-pyrazolo[4,3-g]quinolin-7-yl]benzoic acid

4-[5-(4-fluorophenyl)-6-propan-2-yl-1H-pyrazolo[4,3-g]quinolin-7-yl]benzoic acid (PubChem CID 156879828) has the molecular formula C26H20FN3O2 and a molecular weight of 425.46 g/mol. Its IUPAC name is 4-[5-(4-fluorophenyl)-6-propan-2-yl-1H-pyrazolo[4,3-g]quinolin-7-yl]benzoic acid.

Molecular Properties

• Compound Name: 4-[5-(4-fluorophenyl)-6-propan-2-yl-1H-pyrazolo[4,3-g]quinolin-7-yl]benzoic acid
• PubChem CID: 156879828
• Molecular Formula: C26H20FN3O2
• Molecular Weight: 425.46 g/mol
• Exact Mass: 425.15
• IUPAC Name: 4-[5-(4-fluorophenyl)-6-propan-2-yl-1H-pyrazolo[4,3-g]quinolin-7-yl]benzoic acid
• SMILES: CC(C)c1c(-c2ccc(C(=O)O)cc2)nc2cc3[nH]ncc3cc2c1-c1ccc(F)cc1
• InChI: InChI=1S/C26H20FN3O2/c1-14(2)23-24(15-7-9-19(27)10-8-15)20-11-18-13-28-30-21(18)12-22(20)29-25(23)16-3-5-17(6-4-16)26(31)32/h3-14H,1-2H3,(H,28,30)(H,31,32)
• InChIKey: VSXHFRXZBZKTQX-UHFFFAOYSA-N
• XLogP: 6.41
• TPSA: 78.87 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	425.46
LogP ≤ 5	6.41
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-fluorophenyl)-6-propan-2-yl-1H-pyrazolo[4,3-g]quinolin-7-yl]benzoic acid?

The IUPAC name of 4-[5-(4-fluorophenyl)-6-propan-2-yl-1H-pyrazolo[4,3-g]quinolin-7-yl]benzoic acid (CID 156879828) is 4-[5-(4-fluorophenyl)-6-propan-2-yl-1H-pyrazolo[4,3-g]quinolin-7-yl]benzoic acid.

What is the SMILES notation for 4-[5-(4-fluorophenyl)-6-propan-2-yl-1H-pyrazolo[4,3-g]quinolin-7-yl]benzoic acid?

The canonical SMILES for 4-[5-(4-fluorophenyl)-6-propan-2-yl-1H-pyrazolo[4,3-g]quinolin-7-yl]benzoic acid is CC(C)c1c(-c2ccc(C(=O)O)cc2)nc2cc3[nH]ncc3cc2c1-c1ccc(F)cc1.

What is the InChIKey of 4-[5-(4-fluorophenyl)-6-propan-2-yl-1H-pyrazolo[4,3-g]quinolin-7-yl]benzoic acid?

The InChIKey is VSXHFRXZBZKTQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20FN3O2/c1-14(2)23-24(15-7-9-19(27)10-8-15)20-11-18-13-28-30-21(18)12-22(20)29-25(23)16-3-5-17(6-4-16)26(31)32/h3-14H,1-2H3,(H,28,30)(H,31,32).

What are the key properties of 4-[5-(4-fluorophenyl)-6-propan-2-yl-1H-pyrazolo[4,3-g]quinolin-7-yl]benzoic acid?

4-[5-(4-fluorophenyl)-6-propan-2-yl-1H-pyrazolo[4,3-g]quinolin-7-yl]benzoic acid has a molecular weight of 425.46 g/mol, XLogP of 6.41, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[5-(4-fluorophenyl)-6-propan-2-yl-1H-pyrazolo[4,3-g]quinolin-7-yl]benzoic acid is sourced from PubChem (CID 156879828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).