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

C23H24FN3O3 — CID 58478825

IUPAC(3E)-5-fluoro-3-[2-[2-(3-methoxypiperidin-1-yl)ethyl]-7H-furo[3,4-b]pyridin-5-ylidene]-1H-indol-2-one
SMILESCOC1CCCN(CCc2ccc3c(n2)CO/C3=C2/C(=O)Nc3ccc(F)cc32)C1
InChIInChI=1S/C23H24FN3O3/c1-29-16-3-2-9-27(12-16)10-8-15-5-6-17-20(25-15)13-30-22(17)21-18-11-14(24)4-7-19(18)26-23(21)28/h4-7,11,16H,2-3,8-10,12-13H2,1H3,(H,26,28)/b22-21+
InChIKeyLBMAUMUUDXPOQM-QURGRASLSA-N
MW409.46 g/mol
LogP3.22
Rot. Bonds4

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

(3E)-5-fluoro-3-[2-[2-(3-methoxypiperidin-1-yl)ethyl]-7H-furo[3,4-b]pyridin-5-ylidene]-1H-indol-2-one (PubChem CID 58478825) has the molecular formula C23H24FN3O3 and a molecular weight of 409.46 g/mol. Its IUPAC name is (3E)-5-fluoro-3-[2-[2-(3-methoxypiperidin-1-yl)ethyl]-7H-furo[3,4-b]pyridin-5-ylidene]-1H-indol-2-one.

Molecular Properties

Compound Name(3E)-5-fluoro-3-[2-[2-(3-methoxypiperidin-1-yl)ethyl]-7H-furo[3,4-b]pyridin-5-ylidene]-1H-indol-2-one
PubChem CID58478825
Molecular FormulaC23H24FN3O3
Molecular Weight409.46 g/mol
Exact Mass409.18
IUPAC Name(3E)-5-fluoro-3-[2-[2-(3-methoxypiperidin-1-yl)ethyl]-7H-furo[3,4-b]pyridin-5-ylidene]-1H-indol-2-one
SMILESCOC1CCCN(CCc2ccc3c(n2)CO/C3=C2/C(=O)Nc3ccc(F)cc32)C1
InChIInChI=1S/C23H24FN3O3/c1-29-16-3-2-9-27(12-16)10-8-15-5-6-17-20(25-15)13-30-22(17)21-18-11-14(24)4-7-19(18)26-23(21)28/h4-7,11,16H,2-3,8-10,12-13H2,1H3,(H,26,28)/b22-21+
InChIKeyLBMAUMUUDXPOQM-QURGRASLSA-N
XLogP3.22
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.46
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (3E)-5-fluoro-3-[2-[2-(3-methoxypiperidin-1-yl)ethyl]-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-[2-(3-methoxypiperidin-1-yl)ethyl]-7H-furo[3,4-b]pyridin-5-ylidene]-1H-indol-2-one?
The IUPAC name of (3E)-5-fluoro-3-[2-[2-(3-methoxypiperidin-1-yl)ethyl]-7H-furo[3,4-b]pyridin-5-ylidene]-1H-indol-2-one (CID 58478825) is (3E)-5-fluoro-3-[2-[2-(3-methoxypiperidin-1-yl)ethyl]-7H-furo[3,4-b]pyridin-5-ylidene]-1H-indol-2-one.
What is the SMILES notation for (3E)-5-fluoro-3-[2-[2-(3-methoxypiperidin-1-yl)ethyl]-7H-furo[3,4-b]pyridin-5-ylidene]-1H-indol-2-one?
The canonical SMILES for (3E)-5-fluoro-3-[2-[2-(3-methoxypiperidin-1-yl)ethyl]-7H-furo[3,4-b]pyridin-5-ylidene]-1H-indol-2-one is COC1CCCN(CCc2ccc3c(n2)CO/C3=C2/C(=O)Nc3ccc(F)cc32)C1.
What is the InChIKey of (3E)-5-fluoro-3-[2-[2-(3-methoxypiperidin-1-yl)ethyl]-7H-furo[3,4-b]pyridin-5-ylidene]-1H-indol-2-one?
The InChIKey is LBMAUMUUDXPOQM-QURGRASLSA-N. The full InChI is InChI=1S/C23H24FN3O3/c1-29-16-3-2-9-27(12-16)10-8-15-5-6-17-20(25-15)13-30-22(17)21-18-11-14(24)4-7-19(18)26-23(21)28/h4-7,11,16H,2-3,8-10,12-13H2,1H3,(H,26,28)/b22-21+.
What are the key properties of (3E)-5-fluoro-3-[2-[2-(3-methoxypiperidin-1-yl)ethyl]-7H-furo[3,4-b]pyridin-5-ylidene]-1H-indol-2-one?
(3E)-5-fluoro-3-[2-[2-(3-methoxypiperidin-1-yl)ethyl]-7H-furo[3,4-b]pyridin-5-ylidene]-1H-indol-2-one has a molecular weight of 409.46 g/mol, XLogP of 3.22, 4 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-(3-methoxypiperidin-1-yl)ethyl]-7H-furo[3,4-b]pyridin-5-ylidene]-1H-indol-2-one is sourced from PubChem (CID 58478825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).