5-ethyl-4-hydroxy-2-oxo-6-(3-pyrrolidin-1-yl-2,3-dihydro-1H-pyrrolo[1,2-a]indol-6-yl)-1H-pyridine-3-carboxylic acid

C23H25N3O4 — CID 71284828

About 5-ethyl-4-hydroxy-2-oxo-6-(3-pyrrolidin-1-yl-2,3-dihydro-1H-pyrrolo[1,2-a]indol-6-yl)-1H-pyridine-3-carboxylic acid

5-ethyl-4-hydroxy-2-oxo-6-(3-pyrrolidin-1-yl-2,3-dihydro-1H-pyrrolo[1,2-a]indol-6-yl)-1H-pyridine-3-carboxylic acid (PubChem CID 71284828) has the molecular formula C23H25N3O4 and a molecular weight of 407.47 g/mol. Its IUPAC name is 5-ethyl-4-hydroxy-2-oxo-6-(3-pyrrolidin-1-yl-2,3-dihydro-1H-pyrrolo[1,2-a]indol-6-yl)-1H-pyridine-3-carboxylic acid.

Molecular Properties

• Compound Name: 5-ethyl-4-hydroxy-2-oxo-6-(3-pyrrolidin-1-yl-2,3-dihydro-1H-pyrrolo[1,2-a]indol-6-yl)-1H-pyridine-3-carboxylic acid
• PubChem CID: 71284828
• Molecular Formula: C23H25N3O4
• Molecular Weight: 407.47 g/mol
• Exact Mass: 407.18
• IUPAC Name: 5-ethyl-4-hydroxy-2-oxo-6-(3-pyrrolidin-1-yl-2,3-dihydro-1H-pyrrolo[1,2-a]indol-6-yl)-1H-pyridine-3-carboxylic acid
• SMILES: CCc1c(-c2ccc3c(c2)cc2n3CCC2N2CCCC2)[nH]c(=O)c(C(=O)O)c1O
• InChI: InChI=1S/C23H25N3O4/c1-2-15-20(24-22(28)19(21(15)27)23(29)30)13-5-6-16-14(11-13)12-18-17(7-10-26(16)18)25-8-3-4-9-25/h5-6,11-12,17H,2-4,7-10H2,1H3,(H,29,30)(H2,24,27,28)
• InChIKey: OKUBGHNEBXJSNB-UHFFFAOYSA-N
• XLogP: 3.50
• TPSA: 98.56 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	407.47
LogP ≤ 5	3.50
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-hydroxy-2-oxo-6-(3-pyrrolidin-1-yl-2,3-dihydro-1H-pyrrolo[1,2-a]indol-6-yl)-1H-pyridine-3-carboxylic acid?

The IUPAC name of 5-ethyl-4-hydroxy-2-oxo-6-(3-pyrrolidin-1-yl-2,3-dihydro-1H-pyrrolo[1,2-a]indol-6-yl)-1H-pyridine-3-carboxylic acid (CID 71284828) is 5-ethyl-4-hydroxy-2-oxo-6-(3-pyrrolidin-1-yl-2,3-dihydro-1H-pyrrolo[1,2-a]indol-6-yl)-1H-pyridine-3-carboxylic acid.

What is the SMILES notation for 5-ethyl-4-hydroxy-2-oxo-6-(3-pyrrolidin-1-yl-2,3-dihydro-1H-pyrrolo[1,2-a]indol-6-yl)-1H-pyridine-3-carboxylic acid?

The canonical SMILES for 5-ethyl-4-hydroxy-2-oxo-6-(3-pyrrolidin-1-yl-2,3-dihydro-1H-pyrrolo[1,2-a]indol-6-yl)-1H-pyridine-3-carboxylic acid is CCc1c(-c2ccc3c(c2)cc2n3CCC2N2CCCC2)[nH]c(=O)c(C(=O)O)c1O.

What is the InChIKey of 5-ethyl-4-hydroxy-2-oxo-6-(3-pyrrolidin-1-yl-2,3-dihydro-1H-pyrrolo[1,2-a]indol-6-yl)-1H-pyridine-3-carboxylic acid?

The InChIKey is OKUBGHNEBXJSNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O4/c1-2-15-20(24-22(28)19(21(15)27)23(29)30)13-5-6-16-14(11-13)12-18-17(7-10-26(16)18)25-8-3-4-9-25/h5-6,11-12,17H,2-4,7-10H2,1H3,(H,29,30)(H2,24,27,28).

What are the key properties of 5-ethyl-4-hydroxy-2-oxo-6-(3-pyrrolidin-1-yl-2,3-dihydro-1H-pyrrolo[1,2-a]indol-6-yl)-1H-pyridine-3-carboxylic acid?

5-ethyl-4-hydroxy-2-oxo-6-(3-pyrrolidin-1-yl-2,3-dihydro-1H-pyrrolo[1,2-a]indol-6-yl)-1H-pyridine-3-carboxylic acid has a molecular weight of 407.47 g/mol, XLogP of 3.50, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-ethyl-4-hydroxy-2-oxo-6-(3-pyrrolidin-1-yl-2,3-dihydro-1H-pyrrolo[1,2-a]indol-6-yl)-1H-pyridine-3-carboxylic acid is sourced from PubChem (CID 71284828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).