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

C23H24FN3O3 — CID 24860693

IUPAC(3E)-5-fluoro-3-[2-[3-(3-hydroxypiperidin-1-yl)propyl]-7H-furo[3,4-b]pyridin-5-ylidene]-1H-indol-2-one
SMILESO=C1Nc2ccc(F)cc2/C1=C1\OCc2nc(CCCN3CCCC(O)C3)ccc21
InChIInChI=1S/C23H24FN3O3/c24-14-5-8-19-18(11-14)21(23(29)26-19)22-17-7-6-15(25-20(17)13-30-22)3-1-9-27-10-2-4-16(28)12-27/h5-8,11,16,28H,1-4,9-10,12-13H2,(H,26,29)/b22-21+
InChIKeySKANHAWQOAHTBQ-QURGRASLSA-N
MW409.46 g/mol
LogP2.96
Rot. Bonds4

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

(3E)-5-fluoro-3-[2-[3-(3-hydroxypiperidin-1-yl)propyl]-7H-furo[3,4-b]pyridin-5-ylidene]-1H-indol-2-one (PubChem CID 24860693) has the molecular formula C23H24FN3O3 and a molecular weight of 409.46 g/mol. Its IUPAC name is (3E)-5-fluoro-3-[2-[3-(3-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-(3-hydroxypiperidin-1-yl)propyl]-7H-furo[3,4-b]pyridin-5-ylidene]-1H-indol-2-one
PubChem CID24860693
Molecular FormulaC23H24FN3O3
Molecular Weight409.46 g/mol
Exact Mass409.18
IUPAC Name(3E)-5-fluoro-3-[2-[3-(3-hydroxypiperidin-1-yl)propyl]-7H-furo[3,4-b]pyridin-5-ylidene]-1H-indol-2-one
SMILESO=C1Nc2ccc(F)cc2/C1=C1\OCc2nc(CCCN3CCCC(O)C3)ccc21
InChIInChI=1S/C23H24FN3O3/c24-14-5-8-19-18(11-14)21(23(29)26-19)22-17-7-6-15(25-20(17)13-30-22)3-1-9-27-10-2-4-16(28)12-27/h5-8,11,16,28H,1-4,9-10,12-13H2,(H,26,29)/b22-21+
InChIKeySKANHAWQOAHTBQ-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'}

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Related Compounds

(3E)-5-fluoro-3-[2-[3-[2-methoxyethyl(methyl)amino]propyl]-7H-furo[3,4-b]pyridin-5-ylidene]-1H-indol-2-one
CID 24860694
(3E)-5-fluoro-3-[2-[3-(4-methylpiperazin-1-yl)propyl]-7H-furo[3,4-b]pyridin-5-ylidene]-1H-indol-2-one
CID 24860696
(3E)-5-fluoro-3-[2-(2-morpholin-4-ylethyl)-7H-furo[3,4-b]pyridin-5-ylidene]-1H-indol-2-one
CID 24861510
(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
(3E)-3-[2-[3-(diethylamino)propyl]-7H-furo[3,4-b]pyridin-5-ylidene]-5-fluoro-1H-indol-2-one
CID 24861512
(3E)-5-fluoro-3-[2-[3-[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]propyl]-7H-furo[3,4-b]pyridin-5-ylidene]-1H-indol-2-one
CID 24861513
(3E)-3-{5,5-dimethyl-4-[6-(2-morpholin-4-ylethyl)pyridin-3-yl]furan-2(5H)-ylidene}-6-fluoro-1,3-dihydro-2H-indol-2-one
CID 24968086
(3E)-6-fluoro-3-[4-[6-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]-3-pyridinyl]-5,5-dimethylfuran-2-ylidene]-1H-indol-2-one
CID 24968087
(3E)-6-fluoro-3-[4-[6-[2-(4-hydroxypiperidin-1-yl)ethyl]-3-pyridinyl]-5,5-dimethylfuran-2-ylidene]-1H-indol-2-one
CID 24968088
(3E)-5-fluoro-3-(7H-furo[3,4-b]pyridin-5-ylidene)-1H-indol-2-one
CID 58478737
(3E)-5-fluoro-3-[2-[2-(4-methylpiperazin-1-yl)ethyl]-7H-furo[3,4-b]pyridin-5-ylidene]-1H-indol-2-one
CID 58478746
(3E)-3-[1-ethyl-6-(trifluoromethyl)-1H-furo[3,4-c]pyridin-3-ylidene]-5-fluoro-1H-indol-2-one
CID 58478750

Frequently Asked Questions

What is the IUPAC name of (3E)-5-fluoro-3-[2-[3-(3-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-(3-hydroxypiperidin-1-yl)propyl]-7H-furo[3,4-b]pyridin-5-ylidene]-1H-indol-2-one (CID 24860693) is (3E)-5-fluoro-3-[2-[3-(3-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-(3-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-(3-hydroxypiperidin-1-yl)propyl]-7H-furo[3,4-b]pyridin-5-ylidene]-1H-indol-2-one is O=C1Nc2ccc(F)cc2/C1=C1\OCc2nc(CCCN3CCCC(O)C3)ccc21.
What is the InChIKey of (3E)-5-fluoro-3-[2-[3-(3-hydroxypiperidin-1-yl)propyl]-7H-furo[3,4-b]pyridin-5-ylidene]-1H-indol-2-one?
The InChIKey is SKANHAWQOAHTBQ-QURGRASLSA-N. The full InChI is InChI=1S/C23H24FN3O3/c24-14-5-8-19-18(11-14)21(23(29)26-19)22-17-7-6-15(25-20(17)13-30-22)3-1-9-27-10-2-4-16(28)12-27/h5-8,11,16,28H,1-4,9-10,12-13H2,(H,26,29)/b22-21+.
What are the key properties of (3E)-5-fluoro-3-[2-[3-(3-hydroxypiperidin-1-yl)propyl]-7H-furo[3,4-b]pyridin-5-ylidene]-1H-indol-2-one?
(3E)-5-fluoro-3-[2-[3-(3-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-(3-hydroxypiperidin-1-yl)propyl]-7H-furo[3,4-b]pyridin-5-ylidene]-1H-indol-2-one is sourced from PubChem (CID 24860693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).