2-ethoxycarbonyl-3-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)-3-pyridin-3-ylpropanoic acid

C19H19N3O5 — CID 68557742

IUPAC2-ethoxycarbonyl-3-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)-3-pyridin-3-ylpropanoic acid
SMILESCCOC(=O)C(C(=O)O)C(c1cccnc1)c1c[nH]c2nccc(OC)c12
InChIInChI=1S/C19H19N3O5/c1-3-27-19(25)16(18(23)24)14(11-5-4-7-20-9-11)12-10-22-17-15(12)13(26-2)6-8-21-17/h4-10,14,16H,3H2,1-2H3,(H,21,22)(H,23,24)
InChIKeyUTOUXJGLVHSSCC-UHFFFAOYSA-N
MW369.38 g/mol
LogP2.36
Rot. Bonds7

About 2-ethoxycarbonyl-3-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)-3-pyridin-3-ylpropanoic acid

2-ethoxycarbonyl-3-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)-3-pyridin-3-ylpropanoic acid (PubChem CID 68557742) has the molecular formula C19H19N3O5 and a molecular weight of 369.38 g/mol. Its IUPAC name is 2-ethoxycarbonyl-3-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)-3-pyridin-3-ylpropanoic acid.

Molecular Properties

Compound Name2-ethoxycarbonyl-3-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)-3-pyridin-3-ylpropanoic acid
PubChem CID68557742
Molecular FormulaC19H19N3O5
Molecular Weight369.38 g/mol
Exact Mass369.13
IUPAC Name2-ethoxycarbonyl-3-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)-3-pyridin-3-ylpropanoic acid
SMILESCCOC(=O)C(C(=O)O)C(c1cccnc1)c1c[nH]c2nccc(OC)c12
InChIInChI=1S/C19H19N3O5/c1-3-27-19(25)16(18(23)24)14(11-5-4-7-20-9-11)12-10-22-17-15(12)13(26-2)6-8-21-17/h4-10,14,16H,3H2,1-2H3,(H,21,22)(H,23,24)
InChIKeyUTOUXJGLVHSSCC-UHFFFAOYSA-N
XLogP2.36
TPSA114.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.38
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 2-ethoxycarbonyl-3-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)-3-pyridin-3-ylpropanoic 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 2-ethoxycarbonyl-3-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)-3-pyridin-3-ylpropanoic acid?
The IUPAC name of 2-ethoxycarbonyl-3-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)-3-pyridin-3-ylpropanoic acid (CID 68557742) is 2-ethoxycarbonyl-3-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)-3-pyridin-3-ylpropanoic acid.
What is the SMILES notation for 2-ethoxycarbonyl-3-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)-3-pyridin-3-ylpropanoic acid?
The canonical SMILES for 2-ethoxycarbonyl-3-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)-3-pyridin-3-ylpropanoic acid is CCOC(=O)C(C(=O)O)C(c1cccnc1)c1c[nH]c2nccc(OC)c12.
What is the InChIKey of 2-ethoxycarbonyl-3-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)-3-pyridin-3-ylpropanoic acid?
The InChIKey is UTOUXJGLVHSSCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O5/c1-3-27-19(25)16(18(23)24)14(11-5-4-7-20-9-11)12-10-22-17-15(12)13(26-2)6-8-21-17/h4-10,14,16H,3H2,1-2H3,(H,21,22)(H,23,24).
What are the key properties of 2-ethoxycarbonyl-3-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)-3-pyridin-3-ylpropanoic acid?
2-ethoxycarbonyl-3-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)-3-pyridin-3-ylpropanoic acid has a molecular weight of 369.38 g/mol, XLogP of 2.36, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxycarbonyl-3-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)-3-pyridin-3-ylpropanoic acid is sourced from PubChem (CID 68557742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).