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

C23H24FN3O3 — CID 24861511

IUPAC(3E)-5-fluoro-3-[2-[3-(4-hydroxypiperidin-1-yl)propyl]-7H-furo[3,4-b]pyridin-5-ylidene]-1H-indol-2-one
SMILESO=C1Nc2ccc(F)cc2/C1=C1\OCc2nc(CCCN3CCC(O)CC3)ccc21
InChIInChI=1S/C23H24FN3O3/c24-14-3-6-19-18(12-14)21(23(29)26-19)22-17-5-4-15(25-20(17)13-30-22)2-1-9-27-10-7-16(28)8-11-27/h3-6,12,16,28H,1-2,7-11,13H2,(H,26,29)/b22-21+
InChIKeyMFHBKWYPQAYLHB-QURGRASLSA-N
MW409.46 g/mol
LogP2.96
Rot. Bonds4

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

(3E)-5-fluoro-3-[2-[3-(4-hydroxypiperidin-1-yl)propyl]-7H-furo[3,4-b]pyridin-5-ylidene]-1H-indol-2-one (PubChem CID 24861511) has the molecular formula C23H24FN3O3 and a molecular weight of 409.46 g/mol. Its IUPAC name is (3E)-5-fluoro-3-[2-[3-(4-hydroxypiperidin-1-yl)propyl]-7H-furo[3,4-b]pyridin-5-ylidene]-1H-indol-2-one.

Molecular Properties

Compound Name(3E)-5-fluoro-3-[2-[3-(4-hydroxypiperidin-1-yl)propyl]-7H-furo[3,4-b]pyridin-5-ylidene]-1H-indol-2-one
PubChem CID24861511
Molecular FormulaC23H24FN3O3
Molecular Weight409.46 g/mol
Exact Mass409.18
IUPAC Name(3E)-5-fluoro-3-[2-[3-(4-hydroxypiperidin-1-yl)propyl]-7H-furo[3,4-b]pyridin-5-ylidene]-1H-indol-2-one
SMILESO=C1Nc2ccc(F)cc2/C1=C1\OCc2nc(CCCN3CCC(O)CC3)ccc21
InChIInChI=1S/C23H24FN3O3/c24-14-3-6-19-18(12-14)21(23(29)26-19)22-17-5-4-15(25-20(17)13-30-22)2-1-9-27-10-7-16(28)8-11-27/h3-6,12,16,28H,1-2,7-11,13H2,(H,26,29)/b22-21+
InChIKeyMFHBKWYPQAYLHB-QURGRASLSA-N
XLogP2.96
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.46
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (3E)-5-fluoro-3-[2-[3-(4-hydroxypiperidin-1-yl)propyl]-7H-furo[3,4-b]pyridin-5-ylidene]-1H-indol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3E)-5-fluoro-3-[2-[3-(4-hydroxypiperidin-1-yl)propyl]-7H-furo[3,4-b]pyridin-5-ylidene]-1H-indol-2-one?
The IUPAC name of (3E)-5-fluoro-3-[2-[3-(4-hydroxypiperidin-1-yl)propyl]-7H-furo[3,4-b]pyridin-5-ylidene]-1H-indol-2-one (CID 24861511) is (3E)-5-fluoro-3-[2-[3-(4-hydroxypiperidin-1-yl)propyl]-7H-furo[3,4-b]pyridin-5-ylidene]-1H-indol-2-one.
What is the SMILES notation for (3E)-5-fluoro-3-[2-[3-(4-hydroxypiperidin-1-yl)propyl]-7H-furo[3,4-b]pyridin-5-ylidene]-1H-indol-2-one?
The canonical SMILES for (3E)-5-fluoro-3-[2-[3-(4-hydroxypiperidin-1-yl)propyl]-7H-furo[3,4-b]pyridin-5-ylidene]-1H-indol-2-one is O=C1Nc2ccc(F)cc2/C1=C1\OCc2nc(CCCN3CCC(O)CC3)ccc21.
What is the InChIKey of (3E)-5-fluoro-3-[2-[3-(4-hydroxypiperidin-1-yl)propyl]-7H-furo[3,4-b]pyridin-5-ylidene]-1H-indol-2-one?
The InChIKey is MFHBKWYPQAYLHB-QURGRASLSA-N. The full InChI is InChI=1S/C23H24FN3O3/c24-14-3-6-19-18(12-14)21(23(29)26-19)22-17-5-4-15(25-20(17)13-30-22)2-1-9-27-10-7-16(28)8-11-27/h3-6,12,16,28H,1-2,7-11,13H2,(H,26,29)/b22-21+.
What are the key properties of (3E)-5-fluoro-3-[2-[3-(4-hydroxypiperidin-1-yl)propyl]-7H-furo[3,4-b]pyridin-5-ylidene]-1H-indol-2-one?
(3E)-5-fluoro-3-[2-[3-(4-hydroxypiperidin-1-yl)propyl]-7H-furo[3,4-b]pyridin-5-ylidene]-1H-indol-2-one has a molecular weight of 409.46 g/mol, XLogP of 2.96, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-5-fluoro-3-[2-[3-(4-hydroxypiperidin-1-yl)propyl]-7H-furo[3,4-b]pyridin-5-ylidene]-1H-indol-2-one is sourced from PubChem (CID 24861511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).