1-(8-ethoxy-2-methylimidazo[1,2-a]pyridine-3-carbonyl)-2,3-dihydroindole-3-carboxylic acid

C20H19N3O4 — CID 90090192

IUPAC1-(8-ethoxy-2-methylimidazo[1,2-a]pyridine-3-carbonyl)-2,3-dihydroindole-3-carboxylic acid
SMILESCCOc1cccn2c(C(=O)N3CC(C(=O)O)c4ccccc43)c(C)nc12
InChIInChI=1S/C20H19N3O4/c1-3-27-16-9-6-10-22-17(12(2)21-18(16)22)19(24)23-11-14(20(25)26)13-7-4-5-8-15(13)23/h4-10,14H,3,11H2,1-2H3,(H,25,26)
InChIKeyMXZHSZZAPZWQGQ-UHFFFAOYSA-N
MW365.39 g/mol
LogP2.87
Rot. Bonds4

About 1-(8-ethoxy-2-methylimidazo[1,2-a]pyridine-3-carbonyl)-2,3-dihydroindole-3-carboxylic acid

1-(8-ethoxy-2-methylimidazo[1,2-a]pyridine-3-carbonyl)-2,3-dihydroindole-3-carboxylic acid (PubChem CID 90090192) has the molecular formula C20H19N3O4 and a molecular weight of 365.39 g/mol. Its IUPAC name is 1-(8-ethoxy-2-methylimidazo[1,2-a]pyridine-3-carbonyl)-2,3-dihydroindole-3-carboxylic acid.

Molecular Properties

Compound Name1-(8-ethoxy-2-methylimidazo[1,2-a]pyridine-3-carbonyl)-2,3-dihydroindole-3-carboxylic acid
PubChem CID90090192
Molecular FormulaC20H19N3O4
Molecular Weight365.39 g/mol
Exact Mass365.14
IUPAC Name1-(8-ethoxy-2-methylimidazo[1,2-a]pyridine-3-carbonyl)-2,3-dihydroindole-3-carboxylic acid
SMILESCCOc1cccn2c(C(=O)N3CC(C(=O)O)c4ccccc43)c(C)nc12
InChIInChI=1S/C20H19N3O4/c1-3-27-16-9-6-10-22-17(12(2)21-18(16)22)19(24)23-11-14(20(25)26)13-7-4-5-8-15(13)23/h4-10,14H,3,11H2,1-2H3,(H,25,26)
InChIKeyMXZHSZZAPZWQGQ-UHFFFAOYSA-N
XLogP2.87
TPSA84.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(8-ethoxy-2-methylimidazo[1,2-a]pyridine-3-carbonyl)-2,3-dihydroindole-3-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

Frequently Asked Questions

What is the IUPAC name of 1-(8-ethoxy-2-methylimidazo[1,2-a]pyridine-3-carbonyl)-2,3-dihydroindole-3-carboxylic acid?
The IUPAC name of 1-(8-ethoxy-2-methylimidazo[1,2-a]pyridine-3-carbonyl)-2,3-dihydroindole-3-carboxylic acid (CID 90090192) is 1-(8-ethoxy-2-methylimidazo[1,2-a]pyridine-3-carbonyl)-2,3-dihydroindole-3-carboxylic acid.
What is the SMILES notation for 1-(8-ethoxy-2-methylimidazo[1,2-a]pyridine-3-carbonyl)-2,3-dihydroindole-3-carboxylic acid?
The canonical SMILES for 1-(8-ethoxy-2-methylimidazo[1,2-a]pyridine-3-carbonyl)-2,3-dihydroindole-3-carboxylic acid is CCOc1cccn2c(C(=O)N3CC(C(=O)O)c4ccccc43)c(C)nc12.
What is the InChIKey of 1-(8-ethoxy-2-methylimidazo[1,2-a]pyridine-3-carbonyl)-2,3-dihydroindole-3-carboxylic acid?
The InChIKey is MXZHSZZAPZWQGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O4/c1-3-27-16-9-6-10-22-17(12(2)21-18(16)22)19(24)23-11-14(20(25)26)13-7-4-5-8-15(13)23/h4-10,14H,3,11H2,1-2H3,(H,25,26).
What are the key properties of 1-(8-ethoxy-2-methylimidazo[1,2-a]pyridine-3-carbonyl)-2,3-dihydroindole-3-carboxylic acid?
1-(8-ethoxy-2-methylimidazo[1,2-a]pyridine-3-carbonyl)-2,3-dihydroindole-3-carboxylic acid has a molecular weight of 365.39 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-ethoxy-2-methylimidazo[1,2-a]pyridine-3-carbonyl)-2,3-dihydroindole-3-carboxylic acid is sourced from PubChem (CID 90090192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).