(3E)-5-fluoro-3-[2-(2-morpholin-4-ylethyl)-7H-furo[3,4-b]pyridin-5-ylidene]-1H-indol-2-one

C21H20FN3O3 — CID 24861510

IUPAC(3E)-5-fluoro-3-[2-(2-morpholin-4-ylethyl)-7H-furo[3,4-b]pyridin-5-ylidene]-1H-indol-2-one
SMILESO=C1Nc2ccc(F)cc2/C1=C1\OCc2nc(CCN3CCOCC3)ccc21
InChIInChI=1S/C21H20FN3O3/c22-13-1-4-17-16(11-13)19(21(26)24-17)20-15-3-2-14(23-18(15)12-28-20)5-6-25-7-9-27-10-8-25/h1-4,11H,5-10,12H2,(H,24,26)/b20-19+
InChIKeyCSXHUNKRTVUMEM-FMQUCBEESA-N
MW381.41 g/mol
LogP2.45
Rot. Bonds3

About (3E)-5-fluoro-3-[2-(2-morpholin-4-ylethyl)-7H-furo[3,4-b]pyridin-5-ylidene]-1H-indol-2-one

(3E)-5-fluoro-3-[2-(2-morpholin-4-ylethyl)-7H-furo[3,4-b]pyridin-5-ylidene]-1H-indol-2-one (PubChem CID 24861510) has the molecular formula C21H20FN3O3 and a molecular weight of 381.41 g/mol. Its IUPAC name is (3E)-5-fluoro-3-[2-(2-morpholin-4-ylethyl)-7H-furo[3,4-b]pyridin-5-ylidene]-1H-indol-2-one.

Molecular Properties

Compound Name(3E)-5-fluoro-3-[2-(2-morpholin-4-ylethyl)-7H-furo[3,4-b]pyridin-5-ylidene]-1H-indol-2-one
PubChem CID24861510
Molecular FormulaC21H20FN3O3
Molecular Weight381.41 g/mol
Exact Mass381.15
IUPAC Name(3E)-5-fluoro-3-[2-(2-morpholin-4-ylethyl)-7H-furo[3,4-b]pyridin-5-ylidene]-1H-indol-2-one
SMILESO=C1Nc2ccc(F)cc2/C1=C1\OCc2nc(CCN3CCOCC3)ccc21
InChIInChI=1S/C21H20FN3O3/c22-13-1-4-17-16(11-13)19(21(26)24-17)20-15-3-2-14(23-18(15)12-28-20)5-6-25-7-9-27-10-8-25/h1-4,11H,5-10,12H2,(H,24,26)/b20-19+
InChIKeyCSXHUNKRTVUMEM-FMQUCBEESA-N
XLogP2.45
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.41
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3E)-5-fluoro-3-[2-(2-morpholin-4-ylethyl)-7H-furo[3,4-b]pyridin-5-ylidene]-1H-indol-2-one?
The IUPAC name of (3E)-5-fluoro-3-[2-(2-morpholin-4-ylethyl)-7H-furo[3,4-b]pyridin-5-ylidene]-1H-indol-2-one (CID 24861510) is (3E)-5-fluoro-3-[2-(2-morpholin-4-ylethyl)-7H-furo[3,4-b]pyridin-5-ylidene]-1H-indol-2-one.
What is the SMILES notation for (3E)-5-fluoro-3-[2-(2-morpholin-4-ylethyl)-7H-furo[3,4-b]pyridin-5-ylidene]-1H-indol-2-one?
The canonical SMILES for (3E)-5-fluoro-3-[2-(2-morpholin-4-ylethyl)-7H-furo[3,4-b]pyridin-5-ylidene]-1H-indol-2-one is O=C1Nc2ccc(F)cc2/C1=C1\OCc2nc(CCN3CCOCC3)ccc21.
What is the InChIKey of (3E)-5-fluoro-3-[2-(2-morpholin-4-ylethyl)-7H-furo[3,4-b]pyridin-5-ylidene]-1H-indol-2-one?
The InChIKey is CSXHUNKRTVUMEM-FMQUCBEESA-N. The full InChI is InChI=1S/C21H20FN3O3/c22-13-1-4-17-16(11-13)19(21(26)24-17)20-15-3-2-14(23-18(15)12-28-20)5-6-25-7-9-27-10-8-25/h1-4,11H,5-10,12H2,(H,24,26)/b20-19+.
What are the key properties of (3E)-5-fluoro-3-[2-(2-morpholin-4-ylethyl)-7H-furo[3,4-b]pyridin-5-ylidene]-1H-indol-2-one?
(3E)-5-fluoro-3-[2-(2-morpholin-4-ylethyl)-7H-furo[3,4-b]pyridin-5-ylidene]-1H-indol-2-one has a molecular weight of 381.41 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-5-fluoro-3-[2-(2-morpholin-4-ylethyl)-7H-furo[3,4-b]pyridin-5-ylidene]-1H-indol-2-one is sourced from PubChem (CID 24861510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).