2-[6-chloro-2-(3-ethoxy-4-ethylpyridine-2-carbonyl)-1H-indol-3-yl]acetic acid

C20H19ClN2O4 — CID 23003451

IUPAC2-[6-chloro-2-(3-ethoxy-4-ethylpyridine-2-carbonyl)-1H-indol-3-yl]acetic acid
SMILESCCOc1c(CC)ccnc1C(=O)c1[nH]c2cc(Cl)ccc2c1CC(=O)O
InChIInChI=1S/C20H19ClN2O4/c1-3-11-7-8-22-18(20(11)27-4-2)19(26)17-14(10-16(24)25)13-6-5-12(21)9-15(13)23-17/h5-9,23H,3-4,10H2,1-2H3,(H,24,25)
InChIKeyXOKAZAIZAKWWKK-UHFFFAOYSA-N
MW386.84 g/mol
LogP4.04
Rot. Bonds7

About 2-[6-chloro-2-(3-ethoxy-4-ethylpyridine-2-carbonyl)-1H-indol-3-yl]acetic acid

2-[6-chloro-2-(3-ethoxy-4-ethylpyridine-2-carbonyl)-1H-indol-3-yl]acetic acid (PubChem CID 23003451) has the molecular formula C20H19ClN2O4 and a molecular weight of 386.84 g/mol. Its IUPAC name is 2-[6-chloro-2-(3-ethoxy-4-ethylpyridine-2-carbonyl)-1H-indol-3-yl]acetic acid.

Molecular Properties

Compound Name2-[6-chloro-2-(3-ethoxy-4-ethylpyridine-2-carbonyl)-1H-indol-3-yl]acetic acid
PubChem CID23003451
Molecular FormulaC20H19ClN2O4
Molecular Weight386.84 g/mol
Exact Mass386.10
IUPAC Name2-[6-chloro-2-(3-ethoxy-4-ethylpyridine-2-carbonyl)-1H-indol-3-yl]acetic acid
SMILESCCOc1c(CC)ccnc1C(=O)c1[nH]c2cc(Cl)ccc2c1CC(=O)O
InChIInChI=1S/C20H19ClN2O4/c1-3-11-7-8-22-18(20(11)27-4-2)19(26)17-14(10-16(24)25)13-6-5-12(21)9-15(13)23-17/h5-9,23H,3-4,10H2,1-2H3,(H,24,25)
InChIKeyXOKAZAIZAKWWKK-UHFFFAOYSA-N
XLogP4.04
TPSA92.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.84
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Analyze 2-[6-chloro-2-(3-ethoxy-4-ethylpyridine-2-carbonyl)-1H-indol-3-yl]acetic 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

2-[6-chloro-2-(4-methoxypyridine-2-carbonyl)-1H-indol-3-yl]acetic acid
CID 18542250
2-[5-chloro-2-(3,4-dimethylpyridine-2-carbonyl)-1H-indol-3-yl]acetic acid
CID 18542235
2-[6-chloro-2-(4-ethylpyridine-2-carbonyl)-1H-indol-3-yl]acetate
CID 18542262
[5-chloro-2-(4-ethyl-3-fluoropyridine-2-carbonyl)-1H-indol-3-yl] acetate
CID 70283281
2-[6-chloro-2-[4-(hydroxymethyl)pyridine-2-carbonyl]-1H-indol-3-yl]acetate
CID 18542242
methyl 2-[6-chloro-2-[5-(trifluoromethyl)pyridine-2-carbonyl]-1H-indol-3-yl]acetate
CID 23003535
[6-chloro-3-(2H-tetrazol-5-ylmethyl)-1H-indol-2-yl]-(3-methyl-2-pyridinyl)methanone
CID 70107157
2-[5-chloro-2-(4,6-dimethylpyridine-2-carbonyl)-1H-indol-3-yl]acetic acid
CID 18542362
(4-chloro-2-pyridinyl)-[6-chloro-3-(2H-tetrazol-5-ylmethyl)-1H-indol-2-yl]methanone
CID 15462764
2-[5-chloro-2-(5-chloro-2-ethoxyphenyl)-1H-indol-3-yl]acetic acid
CID 3974335
methyl 2-[6-chloro-2-(4-chloro-3-fluorobenzoyl)-1H-indol-3-yl]acetate
CID 23003541
2-[6-chloro-2-(4-chlorobenzoyl)-5-fluoro-1H-indol-3-yl]acetic acid
CID 18542206

Frequently Asked Questions

What is the IUPAC name of 2-[6-chloro-2-(3-ethoxy-4-ethylpyridine-2-carbonyl)-1H-indol-3-yl]acetic acid?
The IUPAC name of 2-[6-chloro-2-(3-ethoxy-4-ethylpyridine-2-carbonyl)-1H-indol-3-yl]acetic acid (CID 23003451) is 2-[6-chloro-2-(3-ethoxy-4-ethylpyridine-2-carbonyl)-1H-indol-3-yl]acetic acid.
What is the SMILES notation for 2-[6-chloro-2-(3-ethoxy-4-ethylpyridine-2-carbonyl)-1H-indol-3-yl]acetic acid?
The canonical SMILES for 2-[6-chloro-2-(3-ethoxy-4-ethylpyridine-2-carbonyl)-1H-indol-3-yl]acetic acid is CCOc1c(CC)ccnc1C(=O)c1[nH]c2cc(Cl)ccc2c1CC(=O)O.
What is the InChIKey of 2-[6-chloro-2-(3-ethoxy-4-ethylpyridine-2-carbonyl)-1H-indol-3-yl]acetic acid?
The InChIKey is XOKAZAIZAKWWKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2O4/c1-3-11-7-8-22-18(20(11)27-4-2)19(26)17-14(10-16(24)25)13-6-5-12(21)9-15(13)23-17/h5-9,23H,3-4,10H2,1-2H3,(H,24,25).
What are the key properties of 2-[6-chloro-2-(3-ethoxy-4-ethylpyridine-2-carbonyl)-1H-indol-3-yl]acetic acid?
2-[6-chloro-2-(3-ethoxy-4-ethylpyridine-2-carbonyl)-1H-indol-3-yl]acetic acid has a molecular weight of 386.84 g/mol, XLogP of 4.04, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-chloro-2-(3-ethoxy-4-ethylpyridine-2-carbonyl)-1H-indol-3-yl]acetic acid is sourced from PubChem (CID 23003451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).