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

C26H22FN3O2 — CID 158152956

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

5-[1-(4-fluorophenyl)-2-propan-2-yl-5H-pyrrolo[3,4-f]indol-3-yl]-3-methylpyridine-2-carboxylic acid (PubChem CID 158152956) has the molecular formula C26H22FN3O2 and a molecular weight of 427.48 g/mol. Its IUPAC name is 5-[1-(4-fluorophenyl)-2-propan-2-yl-5H-pyrrolo[3,4-f]indol-3-yl]-3-methylpyridine-2-carboxylic acid.

Molecular Properties

• Compound Name: 5-[1-(4-fluorophenyl)-2-propan-2-yl-5H-pyrrolo[3,4-f]indol-3-yl]-3-methylpyridine-2-carboxylic acid
• PubChem CID: 158152956
• Molecular Formula: C26H22FN3O2
• Molecular Weight: 427.48 g/mol
• Exact Mass: 427.17
• IUPAC Name: 5-[1-(4-fluorophenyl)-2-propan-2-yl-5H-pyrrolo[3,4-f]indol-3-yl]-3-methylpyridine-2-carboxylic acid
• SMILES: Cc1cc(-c2c(C(C)C)n(-c3ccc(F)cc3)c3cc4c(cc23)CN=C4)cnc1C(=O)O
• InChI: InChI=1S/C26H22FN3O2/c1-14(2)25-23(18-8-15(3)24(26(31)32)29-13-18)21-9-16-11-28-12-17(16)10-22(21)30(25)20-6-4-19(27)5-7-20/h4-10,12-14H,11H2,1-3H3,(H,31,32)
• InChIKey: FVINFIANKNBEAQ-UHFFFAOYSA-N
• XLogP: 5.89
• TPSA: 67.48 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	427.48
LogP ≤ 5	5.89
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]-3-methylpyridine-2-carboxylic acid?

The IUPAC name of 5-[1-(4-fluorophenyl)-2-propan-2-yl-5H-pyrrolo[3,4-f]indol-3-yl]-3-methylpyridine-2-carboxylic acid (CID 158152956) is 5-[1-(4-fluorophenyl)-2-propan-2-yl-5H-pyrrolo[3,4-f]indol-3-yl]-3-methylpyridine-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]-3-methylpyridine-2-carboxylic acid?

The canonical SMILES for 5-[1-(4-fluorophenyl)-2-propan-2-yl-5H-pyrrolo[3,4-f]indol-3-yl]-3-methylpyridine-2-carboxylic acid is Cc1cc(-c2c(C(C)C)n(-c3ccc(F)cc3)c3cc4c(cc23)CN=C4)cnc1C(=O)O.

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

The InChIKey is FVINFIANKNBEAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22FN3O2/c1-14(2)25-23(18-8-15(3)24(26(31)32)29-13-18)21-9-16-11-28-12-17(16)10-22(21)30(25)20-6-4-19(27)5-7-20/h4-10,12-14H,11H2,1-3H3,(H,31,32).

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

5-[1-(4-fluorophenyl)-2-propan-2-yl-5H-pyrrolo[3,4-f]indol-3-yl]-3-methylpyridine-2-carboxylic acid has a molecular weight of 427.48 g/mol, XLogP of 5.89, 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]-3-methylpyridine-2-carboxylic acid is sourced from PubChem (CID 158152956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).