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

C21H17N5O3 — CID 118727283

IUPAC3-[1-(3-hydroxypropyl)indol-3-yl]-4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrole-2,5-dione
SMILESO=C1NC(=O)C(c2nnc3ccccn23)=C1c1cn(CCCO)c2ccccc12
InChIInChI=1S/C21H17N5O3/c27-11-5-9-25-12-14(13-6-1-2-7-15(13)25)17-18(21(29)22-20(17)28)19-24-23-16-8-3-4-10-26(16)19/h1-4,6-8,10,12,27H,5,9,11H2,(H,22,28,29)
InChIKeyUXLAOLDPQQBBHB-UHFFFAOYSA-N
MW387.40 g/mol
LogP1.63
Rot. Bonds5

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

3-[1-(3-hydroxypropyl)indol-3-yl]-4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrole-2,5-dione (PubChem CID 118727283) has the molecular formula C21H17N5O3 and a molecular weight of 387.40 g/mol. Its IUPAC name is 3-[1-(3-hydroxypropyl)indol-3-yl]-4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-[1-(3-hydroxypropyl)indol-3-yl]-4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrole-2,5-dione
PubChem CID118727283
Molecular FormulaC21H17N5O3
Molecular Weight387.40 g/mol
Exact Mass387.13
IUPAC Name3-[1-(3-hydroxypropyl)indol-3-yl]-4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrole-2,5-dione
SMILESO=C1NC(=O)C(c2nnc3ccccn23)=C1c1cn(CCCO)c2ccccc12
InChIInChI=1S/C21H17N5O3/c27-11-5-9-25-12-14(13-6-1-2-7-15(13)25)17-18(21(29)22-20(17)28)19-24-23-16-8-3-4-10-26(16)19/h1-4,6-8,10,12,27H,5,9,11H2,(H,22,28,29)
InChIKeyUXLAOLDPQQBBHB-UHFFFAOYSA-N
XLogP1.63
TPSA101.52 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.40
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 3-[1-(3-hydroxypropyl)indol-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-[1-(3-hydroxypropyl)indol-3-yl]-4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrole-2,5-dione?
The IUPAC name of 3-[1-(3-hydroxypropyl)indol-3-yl]-4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrole-2,5-dione (CID 118727283) is 3-[1-(3-hydroxypropyl)indol-3-yl]-4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrole-2,5-dione.
What is the SMILES notation for 3-[1-(3-hydroxypropyl)indol-3-yl]-4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrole-2,5-dione?
The canonical SMILES for 3-[1-(3-hydroxypropyl)indol-3-yl]-4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrole-2,5-dione is O=C1NC(=O)C(c2nnc3ccccn23)=C1c1cn(CCCO)c2ccccc12.
What is the InChIKey of 3-[1-(3-hydroxypropyl)indol-3-yl]-4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrole-2,5-dione?
The InChIKey is UXLAOLDPQQBBHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N5O3/c27-11-5-9-25-12-14(13-6-1-2-7-15(13)25)17-18(21(29)22-20(17)28)19-24-23-16-8-3-4-10-26(16)19/h1-4,6-8,10,12,27H,5,9,11H2,(H,22,28,29).
What are the key properties of 3-[1-(3-hydroxypropyl)indol-3-yl]-4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrole-2,5-dione?
3-[1-(3-hydroxypropyl)indol-3-yl]-4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrole-2,5-dione has a molecular weight of 387.40 g/mol, XLogP of 1.63, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3-hydroxypropyl)indol-3-yl]-4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrole-2,5-dione is sourced from PubChem (CID 118727283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).