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

C26H25N3O4 — CID 71291848

IUPAC5-ethyl-4-hydroxy-2-oxo-6-[1-(4-pyrrolidin-1-ylphenyl)indol-5-yl]-1H-pyridine-3-carboxylic acid
SMILESCCc1c(-c2ccc3c(ccn3-c3ccc(N4CCCC4)cc3)c2)[nH]c(=O)c(C(=O)O)c1O
InChIInChI=1S/C26H25N3O4/c1-2-20-23(27-25(31)22(24(20)30)26(32)33)17-5-10-21-16(15-17)11-14-29(21)19-8-6-18(7-9-19)28-12-3-4-13-28/h5-11,14-15H,2-4,12-13H2,1H3,(H,32,33)(H2,27,30,31)
InChIKeyIPWFFFYICXHPGN-UHFFFAOYSA-N
MW443.50 g/mol
LogP4.55
Rot. Bonds5

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

5-ethyl-4-hydroxy-2-oxo-6-[1-(4-pyrrolidin-1-ylphenyl)indol-5-yl]-1H-pyridine-3-carboxylic acid (PubChem CID 71291848) has the molecular formula C26H25N3O4 and a molecular weight of 443.50 g/mol. Its IUPAC name is 5-ethyl-4-hydroxy-2-oxo-6-[1-(4-pyrrolidin-1-ylphenyl)indol-5-yl]-1H-pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-ethyl-4-hydroxy-2-oxo-6-[1-(4-pyrrolidin-1-ylphenyl)indol-5-yl]-1H-pyridine-3-carboxylic acid
PubChem CID71291848
Molecular FormulaC26H25N3O4
Molecular Weight443.50 g/mol
Exact Mass443.18
IUPAC Name5-ethyl-4-hydroxy-2-oxo-6-[1-(4-pyrrolidin-1-ylphenyl)indol-5-yl]-1H-pyridine-3-carboxylic acid
SMILESCCc1c(-c2ccc3c(ccn3-c3ccc(N4CCCC4)cc3)c2)[nH]c(=O)c(C(=O)O)c1O
InChIInChI=1S/C26H25N3O4/c1-2-20-23(27-25(31)22(24(20)30)26(32)33)17-5-10-21-16(15-17)11-14-29(21)19-8-6-18(7-9-19)28-12-3-4-13-28/h5-11,14-15H,2-4,12-13H2,1H3,(H,32,33)(H2,27,30,31)
InChIKeyIPWFFFYICXHPGN-UHFFFAOYSA-N
XLogP4.55
TPSA98.56 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.50
LogP ≤ 54.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-hydroxy-2-oxo-6-[1-(4-pyrrolidin-1-ylphenyl)indol-5-yl]-1H-pyridine-3-carboxylic acid?
The IUPAC name of 5-ethyl-4-hydroxy-2-oxo-6-[1-(4-pyrrolidin-1-ylphenyl)indol-5-yl]-1H-pyridine-3-carboxylic acid (CID 71291848) is 5-ethyl-4-hydroxy-2-oxo-6-[1-(4-pyrrolidin-1-ylphenyl)indol-5-yl]-1H-pyridine-3-carboxylic acid.
What is the SMILES notation for 5-ethyl-4-hydroxy-2-oxo-6-[1-(4-pyrrolidin-1-ylphenyl)indol-5-yl]-1H-pyridine-3-carboxylic acid?
The canonical SMILES for 5-ethyl-4-hydroxy-2-oxo-6-[1-(4-pyrrolidin-1-ylphenyl)indol-5-yl]-1H-pyridine-3-carboxylic acid is CCc1c(-c2ccc3c(ccn3-c3ccc(N4CCCC4)cc3)c2)[nH]c(=O)c(C(=O)O)c1O.
What is the InChIKey of 5-ethyl-4-hydroxy-2-oxo-6-[1-(4-pyrrolidin-1-ylphenyl)indol-5-yl]-1H-pyridine-3-carboxylic acid?
The InChIKey is IPWFFFYICXHPGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O4/c1-2-20-23(27-25(31)22(24(20)30)26(32)33)17-5-10-21-16(15-17)11-14-29(21)19-8-6-18(7-9-19)28-12-3-4-13-28/h5-11,14-15H,2-4,12-13H2,1H3,(H,32,33)(H2,27,30,31).
What are the key properties of 5-ethyl-4-hydroxy-2-oxo-6-[1-(4-pyrrolidin-1-ylphenyl)indol-5-yl]-1H-pyridine-3-carboxylic acid?
5-ethyl-4-hydroxy-2-oxo-6-[1-(4-pyrrolidin-1-ylphenyl)indol-5-yl]-1H-pyridine-3-carboxylic acid has a molecular weight of 443.50 g/mol, XLogP of 4.55, 5 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-[1-(4-pyrrolidin-1-ylphenyl)indol-5-yl]-1H-pyridine-3-carboxylic acid is sourced from PubChem (CID 71291848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).