3-(1,7-dimethylindol-3-yl)-4-furo[2,3-b]pyridin-3-ylpyrrole-2,5-dione

C21H15N3O3 — CID 118704632

IUPAC3-(1,7-dimethylindol-3-yl)-4-furo[2,3-b]pyridin-3-ylpyrrole-2,5-dione
SMILESCc1cccc2c(C3=C(c4coc5ncccc45)C(=O)NC3=O)cn(C)c12
InChIInChI=1S/C21H15N3O3/c1-11-5-3-6-12-14(9-24(2)18(11)12)16-17(20(26)23-19(16)25)15-10-27-21-13(15)7-4-8-22-21/h3-10H,1-2H3,(H,23,25,26)
InChIKeyAIEOEZCOGDCWOQ-UHFFFAOYSA-N
MW357.37 g/mol
LogP3.20
Rot. Bonds2

About 3-(1,7-dimethylindol-3-yl)-4-furo[2,3-b]pyridin-3-ylpyrrole-2,5-dione

3-(1,7-dimethylindol-3-yl)-4-furo[2,3-b]pyridin-3-ylpyrrole-2,5-dione (PubChem CID 118704632) has the molecular formula C21H15N3O3 and a molecular weight of 357.37 g/mol. Its IUPAC name is 3-(1,7-dimethylindol-3-yl)-4-furo[2,3-b]pyridin-3-ylpyrrole-2,5-dione.

Molecular Properties

Compound Name3-(1,7-dimethylindol-3-yl)-4-furo[2,3-b]pyridin-3-ylpyrrole-2,5-dione
PubChem CID118704632
Molecular FormulaC21H15N3O3
Molecular Weight357.37 g/mol
Exact Mass357.11
IUPAC Name3-(1,7-dimethylindol-3-yl)-4-furo[2,3-b]pyridin-3-ylpyrrole-2,5-dione
SMILESCc1cccc2c(C3=C(c4coc5ncccc45)C(=O)NC3=O)cn(C)c12
InChIInChI=1S/C21H15N3O3/c1-11-5-3-6-12-14(9-24(2)18(11)12)16-17(20(26)23-19(16)25)15-10-27-21-13(15)7-4-8-22-21/h3-10H,1-2H3,(H,23,25,26)
InChIKeyAIEOEZCOGDCWOQ-UHFFFAOYSA-N
XLogP3.20
TPSA77.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.37
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-(1,7-dimethylindol-3-yl)-4-furo[2,3-b]pyridin-3-ylpyrrole-2,5-dione?
The IUPAC name of 3-(1,7-dimethylindol-3-yl)-4-furo[2,3-b]pyridin-3-ylpyrrole-2,5-dione (CID 118704632) is 3-(1,7-dimethylindol-3-yl)-4-furo[2,3-b]pyridin-3-ylpyrrole-2,5-dione.
What is the SMILES notation for 3-(1,7-dimethylindol-3-yl)-4-furo[2,3-b]pyridin-3-ylpyrrole-2,5-dione?
The canonical SMILES for 3-(1,7-dimethylindol-3-yl)-4-furo[2,3-b]pyridin-3-ylpyrrole-2,5-dione is Cc1cccc2c(C3=C(c4coc5ncccc45)C(=O)NC3=O)cn(C)c12.
What is the InChIKey of 3-(1,7-dimethylindol-3-yl)-4-furo[2,3-b]pyridin-3-ylpyrrole-2,5-dione?
The InChIKey is AIEOEZCOGDCWOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N3O3/c1-11-5-3-6-12-14(9-24(2)18(11)12)16-17(20(26)23-19(16)25)15-10-27-21-13(15)7-4-8-22-21/h3-10H,1-2H3,(H,23,25,26).
What are the key properties of 3-(1,7-dimethylindol-3-yl)-4-furo[2,3-b]pyridin-3-ylpyrrole-2,5-dione?
3-(1,7-dimethylindol-3-yl)-4-furo[2,3-b]pyridin-3-ylpyrrole-2,5-dione has a molecular weight of 357.37 g/mol, XLogP of 3.20, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,7-dimethylindol-3-yl)-4-furo[2,3-b]pyridin-3-ylpyrrole-2,5-dione is sourced from PubChem (CID 118704632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).