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

C25H24N6O3 — CID 118727284

IUPAC3-[1-(3-morpholin-4-ylpropyl)indol-3-yl]-4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrole-2,5-dione
SMILESO=C1NC(=O)C(c2nnc3ccccn23)=C1c1cn(CCCN2CCOCC2)c2ccccc12
InChIInChI=1S/C25H24N6O3/c32-24-21(22(25(33)26-24)23-28-27-20-8-3-4-11-31(20)23)18-16-30(19-7-2-1-6-17(18)19)10-5-9-29-12-14-34-15-13-29/h1-4,6-8,11,16H,5,9-10,12-15H2,(H,26,32,33)
InChIKeyNHBBJBOGWGWTRG-UHFFFAOYSA-N
MW456.51 g/mol
LogP1.97
Rot. Bonds6

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

3-[1-(3-morpholin-4-ylpropyl)indol-3-yl]-4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrole-2,5-dione (PubChem CID 118727284) has the molecular formula C25H24N6O3 and a molecular weight of 456.51 g/mol. Its IUPAC name is 3-[1-(3-morpholin-4-ylpropyl)indol-3-yl]-4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-[1-(3-morpholin-4-ylpropyl)indol-3-yl]-4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrole-2,5-dione
PubChem CID118727284
Molecular FormulaC25H24N6O3
Molecular Weight456.51 g/mol
Exact Mass456.19
IUPAC Name3-[1-(3-morpholin-4-ylpropyl)indol-3-yl]-4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrole-2,5-dione
SMILESO=C1NC(=O)C(c2nnc3ccccn23)=C1c1cn(CCCN2CCOCC2)c2ccccc12
InChIInChI=1S/C25H24N6O3/c32-24-21(22(25(33)26-24)23-28-27-20-8-3-4-11-31(20)23)18-16-30(19-7-2-1-6-17(18)19)10-5-9-29-12-14-34-15-13-29/h1-4,6-8,11,16H,5,9-10,12-15H2,(H,26,32,33)
InChIKeyNHBBJBOGWGWTRG-UHFFFAOYSA-N
XLogP1.97
TPSA93.76 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.51
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(3-morpholin-4-ylpropyl)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-morpholin-4-ylpropyl)indol-3-yl]-4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrole-2,5-dione (CID 118727284) is 3-[1-(3-morpholin-4-ylpropyl)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-morpholin-4-ylpropyl)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-morpholin-4-ylpropyl)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(CCCN2CCOCC2)c2ccccc12.
What is the InChIKey of 3-[1-(3-morpholin-4-ylpropyl)indol-3-yl]-4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrole-2,5-dione?
The InChIKey is NHBBJBOGWGWTRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N6O3/c32-24-21(22(25(33)26-24)23-28-27-20-8-3-4-11-31(20)23)18-16-30(19-7-2-1-6-17(18)19)10-5-9-29-12-14-34-15-13-29/h1-4,6-8,11,16H,5,9-10,12-15H2,(H,26,32,33).
What are the key properties of 3-[1-(3-morpholin-4-ylpropyl)indol-3-yl]-4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrole-2,5-dione?
3-[1-(3-morpholin-4-ylpropyl)indol-3-yl]-4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrole-2,5-dione has a molecular weight of 456.51 g/mol, XLogP of 1.97, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3-morpholin-4-ylpropyl)indol-3-yl]-4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrole-2,5-dione is sourced from PubChem (CID 118727284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).