5-(6-fluoro-1H-indol-4-yl)-3-(5-methoxy-1H-inden-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid

C26H23FN2O3 — CID 162265961

About 5-(6-fluoro-1H-indol-4-yl)-3-(5-methoxy-1H-inden-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid

5-(6-fluoro-1H-indol-4-yl)-3-(5-methoxy-1H-inden-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid (PubChem CID 162265961) has the molecular formula C26H23FN2O3 and a molecular weight of 430.48 g/mol. Its IUPAC name is 5-(6-fluoro-1H-indol-4-yl)-3-(5-methoxy-1H-inden-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid.

Molecular Properties

• Compound Name: 5-(6-fluoro-1H-indol-4-yl)-3-(5-methoxy-1H-inden-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid
• PubChem CID: 162265961
• Molecular Formula: C26H23FN2O3
• Molecular Weight: 430.48 g/mol
• Exact Mass: 430.17
• IUPAC Name: 5-(6-fluoro-1H-indol-4-yl)-3-(5-methoxy-1H-inden-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid
• SMILES: COc1ccc2c(c1-c1c(C(=O)O)[nH]c(-c3cc(F)cc4[nH]ccc34)c1C(C)C)C=CC2
• InChI: InChI=1S/C26H23FN2O3/c1-13(2)21-23(22-16-6-4-5-14(16)7-8-20(22)32-3)25(26(30)31)29-24(21)18-11-15(27)12-19-17(18)9-10-28-19/h4,6-13,28-29H,5H2,1-3H3,(H,30,31)
• InChIKey: ZZXCFNZFCRDIHO-UHFFFAOYSA-N
• XLogP: 6.37
• TPSA: 78.11 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	430.48
LogP ≤ 5	6.37
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 5-(6-fluoro-1H-indol-4-yl)-3-(5-methoxy-1H-inden-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid?

The IUPAC name of 5-(6-fluoro-1H-indol-4-yl)-3-(5-methoxy-1H-inden-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid (CID 162265961) is 5-(6-fluoro-1H-indol-4-yl)-3-(5-methoxy-1H-inden-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid.

What is the SMILES notation for 5-(6-fluoro-1H-indol-4-yl)-3-(5-methoxy-1H-inden-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid?

The canonical SMILES for 5-(6-fluoro-1H-indol-4-yl)-3-(5-methoxy-1H-inden-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid is COc1ccc2c(c1-c1c(C(=O)O)[nH]c(-c3cc(F)cc4[nH]ccc34)c1C(C)C)C=CC2.

What is the InChIKey of 5-(6-fluoro-1H-indol-4-yl)-3-(5-methoxy-1H-inden-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid?

The InChIKey is ZZXCFNZFCRDIHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23FN2O3/c1-13(2)21-23(22-16-6-4-5-14(16)7-8-20(22)32-3)25(26(30)31)29-24(21)18-11-15(27)12-19-17(18)9-10-28-19/h4,6-13,28-29H,5H2,1-3H3,(H,30,31).

What are the key properties of 5-(6-fluoro-1H-indol-4-yl)-3-(5-methoxy-1H-inden-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid?

5-(6-fluoro-1H-indol-4-yl)-3-(5-methoxy-1H-inden-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid has a molecular weight of 430.48 g/mol, XLogP of 6.37, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(6-fluoro-1H-indol-4-yl)-3-(5-methoxy-1H-inden-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid is sourced from PubChem (CID 162265961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).