5-ethyl-1-[(2-fluoro-5-nitrophenyl)methyl]-3-(6-methyl-2-oxo-1H-pyridin-3-yl)indole-2-carboxylic acid

C24H20FN3O5 — CID 58240848

IUPAC5-ethyl-1-[(2-fluoro-5-nitrophenyl)methyl]-3-(6-methyl-2-oxo-1H-pyridin-3-yl)indole-2-carboxylic acid
SMILESCCc1ccc2c(c1)c(-c1ccc(C)[nH]c1=O)c(C(=O)O)n2Cc1cc([N+](=O)[O-])ccc1F
InChIInChI=1S/C24H20FN3O5/c1-3-14-5-9-20-18(10-14)21(17-7-4-13(2)26-23(17)29)22(24(30)31)27(20)12-15-11-16(28(32)33)6-8-19(15)25/h4-11H,3,12H2,1-2H3,(H,26,29)(H,30,31)
InChIKeySAZFLYYFEMIRAQ-UHFFFAOYSA-N
MW449.44 g/mol
LogP4.66
Rot. Bonds6

About 5-ethyl-1-[(2-fluoro-5-nitrophenyl)methyl]-3-(6-methyl-2-oxo-1H-pyridin-3-yl)indole-2-carboxylic acid

5-ethyl-1-[(2-fluoro-5-nitrophenyl)methyl]-3-(6-methyl-2-oxo-1H-pyridin-3-yl)indole-2-carboxylic acid (PubChem CID 58240848) has the molecular formula C24H20FN3O5 and a molecular weight of 449.44 g/mol. Its IUPAC name is 5-ethyl-1-[(2-fluoro-5-nitrophenyl)methyl]-3-(6-methyl-2-oxo-1H-pyridin-3-yl)indole-2-carboxylic acid.

Molecular Properties

Compound Name5-ethyl-1-[(2-fluoro-5-nitrophenyl)methyl]-3-(6-methyl-2-oxo-1H-pyridin-3-yl)indole-2-carboxylic acid
PubChem CID58240848
Molecular FormulaC24H20FN3O5
Molecular Weight449.44 g/mol
Exact Mass449.14
IUPAC Name5-ethyl-1-[(2-fluoro-5-nitrophenyl)methyl]-3-(6-methyl-2-oxo-1H-pyridin-3-yl)indole-2-carboxylic acid
SMILESCCc1ccc2c(c1)c(-c1ccc(C)[nH]c1=O)c(C(=O)O)n2Cc1cc([N+](=O)[O-])ccc1F
InChIInChI=1S/C24H20FN3O5/c1-3-14-5-9-20-18(10-14)21(17-7-4-13(2)26-23(17)29)22(24(30)31)27(20)12-15-11-16(28(32)33)6-8-19(15)25/h4-11H,3,12H2,1-2H3,(H,26,29)(H,30,31)
InChIKeySAZFLYYFEMIRAQ-UHFFFAOYSA-N
XLogP4.66
TPSA118.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.44
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 5-ethyl-1-[(2-fluoro-5-nitrophenyl)methyl]-3-(6-methyl-2-oxo-1H-pyridin-3-yl)indole-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[2-acetyl-5-ethyl-1-[(2-fluoro-5-nitrophenyl)methyl]indol-3-yl]-1H-pyridin-2-one;3-[2-acetyl-6-fluoro-1-[(2-fluoro-5-nitrophenyl)methyl]-5-methylindol-3-yl]-1H-pyridin-2-one;3-[2-acetyl-1-[(2-fluoro-5-nitrophenyl)methyl]-5-methylindol-3-yl]-6-methyl-1H-pyridin-2-one;3-[2-acetyl-1-[(2-fluoro-5-nitrophenyl)methyl]-5-methylindol-3-yl]-1H-pyridin-2-one
CID 158842063
5-ethyl-1-[(2-fluorophenyl)methyl]-3-(6-methyl-2-oxo-1H-pyridin-3-yl)-N-propan-2-ylsulfonylindole-2-carboxamide
CID 58132641
3-[2-acetyl-1-[(2-chloro-5-nitrophenyl)methyl]-5-ethylindol-3-yl]-1H-pyridin-2-one
CID 58240960
[3-[[2-carboxy-3-(2-oxo-1H-pyridin-3-yl)-5-(trifluoromethyl)indol-1-yl]methyl]-4-fluorophenyl]-methoxy-oxoazanium
CID 163975680
3-[5-tert-butyl-2-(2-cyclopropylsulfonylacetyl)-1-[(2-fluoro-5-nitrophenyl)methyl]indol-3-yl]-1H-pyridin-2-one
CID 58132435
1-[(2-chloroquinolin-3-yl)methyl]-5-ethyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxylic acid
CID 58240832
N-cyclopropylsulfonyl-1-[(2,4-difluorophenyl)methyl]-5-methyl-3-(6-methyl-2-oxo-1H-pyridin-3-yl)indole-2-carboxamide
CID 58132621
3-(2-fluorophenyl)-1-[(2-fluorophenyl)methyl]-5-methylindole-2-carboxylic acid
CID 25226741
1-[(2,5-difluorophenyl)methyl]-5-[(1S,2R)-2-methylcyclopropyl]-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxylic acid
CID 163611991
2-[1-[(4-chlorophenyl)methyl]-6-nitro-2-oxoquinolin-4-yl]acetic acid
CID 12802770
1-[(2-fluoro-3-methylphenyl)methyl]-5-methyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxylic acid
CID 58240990
6-[(2,5-difluorophenyl)methyl]-3-methyl-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid
CID 25173785

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1-[(2-fluoro-5-nitrophenyl)methyl]-3-(6-methyl-2-oxo-1H-pyridin-3-yl)indole-2-carboxylic acid?
The IUPAC name of 5-ethyl-1-[(2-fluoro-5-nitrophenyl)methyl]-3-(6-methyl-2-oxo-1H-pyridin-3-yl)indole-2-carboxylic acid (CID 58240848) is 5-ethyl-1-[(2-fluoro-5-nitrophenyl)methyl]-3-(6-methyl-2-oxo-1H-pyridin-3-yl)indole-2-carboxylic acid.
What is the SMILES notation for 5-ethyl-1-[(2-fluoro-5-nitrophenyl)methyl]-3-(6-methyl-2-oxo-1H-pyridin-3-yl)indole-2-carboxylic acid?
The canonical SMILES for 5-ethyl-1-[(2-fluoro-5-nitrophenyl)methyl]-3-(6-methyl-2-oxo-1H-pyridin-3-yl)indole-2-carboxylic acid is CCc1ccc2c(c1)c(-c1ccc(C)[nH]c1=O)c(C(=O)O)n2Cc1cc([N+](=O)[O-])ccc1F.
What is the InChIKey of 5-ethyl-1-[(2-fluoro-5-nitrophenyl)methyl]-3-(6-methyl-2-oxo-1H-pyridin-3-yl)indole-2-carboxylic acid?
The InChIKey is SAZFLYYFEMIRAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FN3O5/c1-3-14-5-9-20-18(10-14)21(17-7-4-13(2)26-23(17)29)22(24(30)31)27(20)12-15-11-16(28(32)33)6-8-19(15)25/h4-11H,3,12H2,1-2H3,(H,26,29)(H,30,31).
What are the key properties of 5-ethyl-1-[(2-fluoro-5-nitrophenyl)methyl]-3-(6-methyl-2-oxo-1H-pyridin-3-yl)indole-2-carboxylic acid?
5-ethyl-1-[(2-fluoro-5-nitrophenyl)methyl]-3-(6-methyl-2-oxo-1H-pyridin-3-yl)indole-2-carboxylic acid has a molecular weight of 449.44 g/mol, XLogP of 4.66, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1-[(2-fluoro-5-nitrophenyl)methyl]-3-(6-methyl-2-oxo-1H-pyridin-3-yl)indole-2-carboxylic acid is sourced from PubChem (CID 58240848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).