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

C21H15N5O2 — CID 118727279

IUPAC3-(1-prop-2-enylindol-3-yl)-4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrole-2,5-dione
SMILESC=CCn1cc(C2=C(c3nnc4ccccn34)C(=O)NC2=O)c2ccccc21
InChIInChI=1S/C21H15N5O2/c1-2-10-25-12-14(13-7-3-4-8-15(13)25)17-18(21(28)22-20(17)27)19-24-23-16-9-5-6-11-26(16)19/h2-9,11-12H,1,10H2,(H,22,27,28)
InChIKeyIUSILQOOVMLBJR-UHFFFAOYSA-N
MW369.38 g/mol
LogP2.44
Rot. Bonds4

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

3-(1-prop-2-enylindol-3-yl)-4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrole-2,5-dione (PubChem CID 118727279) has the molecular formula C21H15N5O2 and a molecular weight of 369.38 g/mol. Its IUPAC name is 3-(1-prop-2-enylindol-3-yl)-4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-(1-prop-2-enylindol-3-yl)-4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrole-2,5-dione
PubChem CID118727279
Molecular FormulaC21H15N5O2
Molecular Weight369.38 g/mol
Exact Mass369.12
IUPAC Name3-(1-prop-2-enylindol-3-yl)-4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrole-2,5-dione
SMILESC=CCn1cc(C2=C(c3nnc4ccccn34)C(=O)NC2=O)c2ccccc21
InChIInChI=1S/C21H15N5O2/c1-2-10-25-12-14(13-7-3-4-8-15(13)25)17-18(21(28)22-20(17)27)19-24-23-16-9-5-6-11-26(16)19/h2-9,11-12H,1,10H2,(H,22,27,28)
InChIKeyIUSILQOOVMLBJR-UHFFFAOYSA-N
XLogP2.44
TPSA81.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.38
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

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Ripk1-IN-19
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CID 5327669
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Frequently Asked Questions

What is the IUPAC name of 3-(1-prop-2-enylindol-3-yl)-4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrole-2,5-dione?
The IUPAC name of 3-(1-prop-2-enylindol-3-yl)-4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrole-2,5-dione (CID 118727279) is 3-(1-prop-2-enylindol-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-prop-2-enylindol-3-yl)-4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrole-2,5-dione?
The canonical SMILES for 3-(1-prop-2-enylindol-3-yl)-4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrole-2,5-dione is C=CCn1cc(C2=C(c3nnc4ccccn34)C(=O)NC2=O)c2ccccc21.
What is the InChIKey of 3-(1-prop-2-enylindol-3-yl)-4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrole-2,5-dione?
The InChIKey is IUSILQOOVMLBJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N5O2/c1-2-10-25-12-14(13-7-3-4-8-15(13)25)17-18(21(28)22-20(17)27)19-24-23-16-9-5-6-11-26(16)19/h2-9,11-12H,1,10H2,(H,22,27,28).
What are the key properties of 3-(1-prop-2-enylindol-3-yl)-4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrole-2,5-dione?
3-(1-prop-2-enylindol-3-yl)-4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrole-2,5-dione has a molecular weight of 369.38 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-prop-2-enylindol-3-yl)-4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrole-2,5-dione is sourced from PubChem (CID 118727279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).