3-(6-fluoro-1-methylindol-3-yl)-4-furo[2,3-b]pyridin-3-ylpyrrole-2,5-dione

C20H12FN3O3 — CID 118704634

IUPAC3-(6-fluoro-1-methylindol-3-yl)-4-furo[2,3-b]pyridin-3-ylpyrrole-2,5-dione
SMILESCn1cc(C2=C(c3coc4ncccc34)C(=O)NC2=O)c2ccc(F)cc21
InChIInChI=1S/C20H12FN3O3/c1-24-8-13(11-5-4-10(21)7-15(11)24)16-17(19(26)23-18(16)25)14-9-27-20-12(14)3-2-6-22-20/h2-9H,1H3,(H,23,25,26)
InChIKeyHURIZWHZQKFRLH-UHFFFAOYSA-N
MW361.33 g/mol
LogP3.03
Rot. Bonds2

About 3-(6-fluoro-1-methylindol-3-yl)-4-furo[2,3-b]pyridin-3-ylpyrrole-2,5-dione

3-(6-fluoro-1-methylindol-3-yl)-4-furo[2,3-b]pyridin-3-ylpyrrole-2,5-dione (PubChem CID 118704634) has the molecular formula C20H12FN3O3 and a molecular weight of 361.33 g/mol. Its IUPAC name is 3-(6-fluoro-1-methylindol-3-yl)-4-furo[2,3-b]pyridin-3-ylpyrrole-2,5-dione.

Molecular Properties

Compound Name3-(6-fluoro-1-methylindol-3-yl)-4-furo[2,3-b]pyridin-3-ylpyrrole-2,5-dione
PubChem CID118704634
Molecular FormulaC20H12FN3O3
Molecular Weight361.33 g/mol
Exact Mass361.09
IUPAC Name3-(6-fluoro-1-methylindol-3-yl)-4-furo[2,3-b]pyridin-3-ylpyrrole-2,5-dione
SMILESCn1cc(C2=C(c3coc4ncccc34)C(=O)NC2=O)c2ccc(F)cc21
InChIInChI=1S/C20H12FN3O3/c1-24-8-13(11-5-4-10(21)7-15(11)24)16-17(19(26)23-18(16)25)14-9-27-20-12(14)3-2-6-22-20/h2-9H,1H3,(H,23,25,26)
InChIKeyHURIZWHZQKFRLH-UHFFFAOYSA-N
XLogP3.03
TPSA77.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.33
LogP ≤ 53.03
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-(6-fluoro-1-methylindol-3-yl)-4-furo[2,3-b]pyridin-3-ylpyrrole-2,5-dione?
The IUPAC name of 3-(6-fluoro-1-methylindol-3-yl)-4-furo[2,3-b]pyridin-3-ylpyrrole-2,5-dione (CID 118704634) is 3-(6-fluoro-1-methylindol-3-yl)-4-furo[2,3-b]pyridin-3-ylpyrrole-2,5-dione.
What is the SMILES notation for 3-(6-fluoro-1-methylindol-3-yl)-4-furo[2,3-b]pyridin-3-ylpyrrole-2,5-dione?
The canonical SMILES for 3-(6-fluoro-1-methylindol-3-yl)-4-furo[2,3-b]pyridin-3-ylpyrrole-2,5-dione is Cn1cc(C2=C(c3coc4ncccc34)C(=O)NC2=O)c2ccc(F)cc21.
What is the InChIKey of 3-(6-fluoro-1-methylindol-3-yl)-4-furo[2,3-b]pyridin-3-ylpyrrole-2,5-dione?
The InChIKey is HURIZWHZQKFRLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12FN3O3/c1-24-8-13(11-5-4-10(21)7-15(11)24)16-17(19(26)23-18(16)25)14-9-27-20-12(14)3-2-6-22-20/h2-9H,1H3,(H,23,25,26).
What are the key properties of 3-(6-fluoro-1-methylindol-3-yl)-4-furo[2,3-b]pyridin-3-ylpyrrole-2,5-dione?
3-(6-fluoro-1-methylindol-3-yl)-4-furo[2,3-b]pyridin-3-ylpyrrole-2,5-dione has a molecular weight of 361.33 g/mol, XLogP of 3.03, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-fluoro-1-methylindol-3-yl)-4-furo[2,3-b]pyridin-3-ylpyrrole-2,5-dione is sourced from PubChem (CID 118704634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).