5-[1-(4-fluorophenyl)-2-propan-2-yl-5H-pyrrolo[3,4-f]indol-3-yl]thiophene-2-carboxylic acid

C24H19FN2O2S — CID 157342629

About 5-[1-(4-fluorophenyl)-2-propan-2-yl-5H-pyrrolo[3,4-f]indol-3-yl]thiophene-2-carboxylic acid

5-[1-(4-fluorophenyl)-2-propan-2-yl-5H-pyrrolo[3,4-f]indol-3-yl]thiophene-2-carboxylic acid (PubChem CID 157342629) has the molecular formula C24H19FN2O2S and a molecular weight of 418.49 g/mol. Its IUPAC name is 5-[1-(4-fluorophenyl)-2-propan-2-yl-5H-pyrrolo[3,4-f]indol-3-yl]thiophene-2-carboxylic acid.

Molecular Properties

• Compound Name: 5-[1-(4-fluorophenyl)-2-propan-2-yl-5H-pyrrolo[3,4-f]indol-3-yl]thiophene-2-carboxylic acid
• PubChem CID: 157342629
• Molecular Formula: C24H19FN2O2S
• Molecular Weight: 418.49 g/mol
• Exact Mass: 418.12
• IUPAC Name: 5-[1-(4-fluorophenyl)-2-propan-2-yl-5H-pyrrolo[3,4-f]indol-3-yl]thiophene-2-carboxylic acid
• SMILES: CC(C)c1c(-c2ccc(C(=O)O)s2)c2cc3c(cc2n1-c1ccc(F)cc1)C=NC3
• InChI: InChI=1S/C24H19FN2O2S/c1-13(2)23-22(20-7-8-21(30-20)24(28)29)18-9-14-11-26-12-15(14)10-19(18)27(23)17-5-3-16(25)4-6-17/h3-10,12-13H,11H2,1-2H3,(H,28,29)
• InChIKey: QHMBRIBHLLTDPG-UHFFFAOYSA-N
• XLogP: 6.25
• TPSA: 54.59 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	418.49
LogP ≤ 5	6.25
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 5-[1-(4-fluorophenyl)-2-propan-2-yl-5H-pyrrolo[3,4-f]indol-3-yl]thiophene-2-carboxylic acid?

The IUPAC name of 5-[1-(4-fluorophenyl)-2-propan-2-yl-5H-pyrrolo[3,4-f]indol-3-yl]thiophene-2-carboxylic acid (CID 157342629) is 5-[1-(4-fluorophenyl)-2-propan-2-yl-5H-pyrrolo[3,4-f]indol-3-yl]thiophene-2-carboxylic acid.

What is the SMILES notation for 5-[1-(4-fluorophenyl)-2-propan-2-yl-5H-pyrrolo[3,4-f]indol-3-yl]thiophene-2-carboxylic acid?

The canonical SMILES for 5-[1-(4-fluorophenyl)-2-propan-2-yl-5H-pyrrolo[3,4-f]indol-3-yl]thiophene-2-carboxylic acid is CC(C)c1c(-c2ccc(C(=O)O)s2)c2cc3c(cc2n1-c1ccc(F)cc1)C=NC3.

What is the InChIKey of 5-[1-(4-fluorophenyl)-2-propan-2-yl-5H-pyrrolo[3,4-f]indol-3-yl]thiophene-2-carboxylic acid?

The InChIKey is QHMBRIBHLLTDPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19FN2O2S/c1-13(2)23-22(20-7-8-21(30-20)24(28)29)18-9-14-11-26-12-15(14)10-19(18)27(23)17-5-3-16(25)4-6-17/h3-10,12-13H,11H2,1-2H3,(H,28,29).

What are the key properties of 5-[1-(4-fluorophenyl)-2-propan-2-yl-5H-pyrrolo[3,4-f]indol-3-yl]thiophene-2-carboxylic acid?

5-[1-(4-fluorophenyl)-2-propan-2-yl-5H-pyrrolo[3,4-f]indol-3-yl]thiophene-2-carboxylic acid has a molecular weight of 418.49 g/mol, XLogP of 6.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[1-(4-fluorophenyl)-2-propan-2-yl-5H-pyrrolo[3,4-f]indol-3-yl]thiophene-2-carboxylic acid is sourced from PubChem (CID 157342629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).