3-(5-methoxy-1-methylindol-3-yl)-4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrole-2,5-dione

C20H15N5O3 — CID 118727278

IUPAC3-(5-methoxy-1-methylindol-3-yl)-4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrole-2,5-dione
SMILESCOc1ccc2c(c1)c(C1=C(c3nnc4ccccn34)C(=O)NC1=O)cn2C
InChIInChI=1S/C20H15N5O3/c1-24-10-13(12-9-11(28-2)6-7-14(12)24)16-17(20(27)21-19(16)26)18-23-22-15-5-3-4-8-25(15)18/h3-10H,1-2H3,(H,21,26,27)
InChIKeyNMQAAYNHPOXBRG-UHFFFAOYSA-N
MW373.37 g/mol
LogP1.80
Rot. Bonds3

About 3-(5-methoxy-1-methylindol-3-yl)-4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrole-2,5-dione

3-(5-methoxy-1-methylindol-3-yl)-4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrole-2,5-dione (PubChem CID 118727278) has the molecular formula C20H15N5O3 and a molecular weight of 373.37 g/mol. Its IUPAC name is 3-(5-methoxy-1-methylindol-3-yl)-4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-(5-methoxy-1-methylindol-3-yl)-4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrole-2,5-dione
PubChem CID118727278
Molecular FormulaC20H15N5O3
Molecular Weight373.37 g/mol
Exact Mass373.12
IUPAC Name3-(5-methoxy-1-methylindol-3-yl)-4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrole-2,5-dione
SMILESCOc1ccc2c(c1)c(C1=C(c3nnc4ccccn34)C(=O)NC1=O)cn2C
InChIInChI=1S/C20H15N5O3/c1-24-10-13(12-9-11(28-2)6-7-14(12)24)16-17(20(27)21-19(16)26)18-23-22-15-5-3-4-8-25(15)18/h3-10H,1-2H3,(H,21,26,27)
InChIKeyNMQAAYNHPOXBRG-UHFFFAOYSA-N
XLogP1.80
TPSA90.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.37
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 3-(5-methoxy-1-methylindol-3-yl)-4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrole-2,5-dione 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 3-(5-methoxy-1-methylindol-3-yl)-4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrole-2,5-dione?
The IUPAC name of 3-(5-methoxy-1-methylindol-3-yl)-4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrole-2,5-dione (CID 118727278) is 3-(5-methoxy-1-methylindol-3-yl)-4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrole-2,5-dione.
What is the SMILES notation for 3-(5-methoxy-1-methylindol-3-yl)-4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrole-2,5-dione?
The canonical SMILES for 3-(5-methoxy-1-methylindol-3-yl)-4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrole-2,5-dione is COc1ccc2c(c1)c(C1=C(c3nnc4ccccn34)C(=O)NC1=O)cn2C.
What is the InChIKey of 3-(5-methoxy-1-methylindol-3-yl)-4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrole-2,5-dione?
The InChIKey is NMQAAYNHPOXBRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N5O3/c1-24-10-13(12-9-11(28-2)6-7-14(12)24)16-17(20(27)21-19(16)26)18-23-22-15-5-3-4-8-25(15)18/h3-10H,1-2H3,(H,21,26,27).
What are the key properties of 3-(5-methoxy-1-methylindol-3-yl)-4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrole-2,5-dione?
3-(5-methoxy-1-methylindol-3-yl)-4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrole-2,5-dione has a molecular weight of 373.37 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methoxy-1-methylindol-3-yl)-4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrole-2,5-dione is sourced from PubChem (CID 118727278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).