(3E)-3-[1-ethyl-6-(2-morpholin-4-ylethylamino)-1H-furo[3,4-c]pyridin-3-ylidene]-5-fluoro-1H-indol-2-one

C23H25FN4O3 — CID 58478844

IUPAC(3E)-3-[1-ethyl-6-(2-morpholin-4-ylethylamino)-1H-furo[3,4-c]pyridin-3-ylidene]-5-fluoro-1H-indol-2-one
SMILESCCC1O/C(=C2/C(=O)Nc3ccc(F)cc32)c2cnc(NCCN3CCOCC3)cc21
InChIInChI=1S/C23H25FN4O3/c1-2-19-15-12-20(25-5-6-28-7-9-30-10-8-28)26-13-17(15)22(31-19)21-16-11-14(24)3-4-18(16)27-23(21)29/h3-4,11-13,19H,2,5-10H2,1H3,(H,25,26)(H,27,29)/b22-21+
InChIKeyXUUIQHJKYYGTCR-QURGRASLSA-N
MW424.48 g/mol
LogP3.27
Rot. Bonds5

About (3E)-3-[1-ethyl-6-(2-morpholin-4-ylethylamino)-1H-furo[3,4-c]pyridin-3-ylidene]-5-fluoro-1H-indol-2-one

(3E)-3-[1-ethyl-6-(2-morpholin-4-ylethylamino)-1H-furo[3,4-c]pyridin-3-ylidene]-5-fluoro-1H-indol-2-one (PubChem CID 58478844) has the molecular formula C23H25FN4O3 and a molecular weight of 424.48 g/mol. Its IUPAC name is (3E)-3-[1-ethyl-6-(2-morpholin-4-ylethylamino)-1H-furo[3,4-c]pyridin-3-ylidene]-5-fluoro-1H-indol-2-one.

Molecular Properties

Compound Name(3E)-3-[1-ethyl-6-(2-morpholin-4-ylethylamino)-1H-furo[3,4-c]pyridin-3-ylidene]-5-fluoro-1H-indol-2-one
PubChem CID58478844
Molecular FormulaC23H25FN4O3
Molecular Weight424.48 g/mol
Exact Mass424.19
IUPAC Name(3E)-3-[1-ethyl-6-(2-morpholin-4-ylethylamino)-1H-furo[3,4-c]pyridin-3-ylidene]-5-fluoro-1H-indol-2-one
SMILESCCC1O/C(=C2/C(=O)Nc3ccc(F)cc32)c2cnc(NCCN3CCOCC3)cc21
InChIInChI=1S/C23H25FN4O3/c1-2-19-15-12-20(25-5-6-28-7-9-30-10-8-28)26-13-17(15)22(31-19)21-16-11-14(24)3-4-18(16)27-23(21)29/h3-4,11-13,19H,2,5-10H2,1H3,(H,25,26)(H,27,29)/b22-21+
InChIKeyXUUIQHJKYYGTCR-QURGRASLSA-N
XLogP3.27
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.48
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (3E)-3-[1-ethyl-6-(2-morpholin-4-ylethylamino)-1H-furo[3,4-c]pyridin-3-ylidene]-5-fluoro-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)-3-[1-ethyl-6-(2-morpholin-4-ylethylamino)-1H-furo[3,4-c]pyridin-3-ylidene]-5-fluoro-1H-indol-2-one?
The IUPAC name of (3E)-3-[1-ethyl-6-(2-morpholin-4-ylethylamino)-1H-furo[3,4-c]pyridin-3-ylidene]-5-fluoro-1H-indol-2-one (CID 58478844) is (3E)-3-[1-ethyl-6-(2-morpholin-4-ylethylamino)-1H-furo[3,4-c]pyridin-3-ylidene]-5-fluoro-1H-indol-2-one.
What is the SMILES notation for (3E)-3-[1-ethyl-6-(2-morpholin-4-ylethylamino)-1H-furo[3,4-c]pyridin-3-ylidene]-5-fluoro-1H-indol-2-one?
The canonical SMILES for (3E)-3-[1-ethyl-6-(2-morpholin-4-ylethylamino)-1H-furo[3,4-c]pyridin-3-ylidene]-5-fluoro-1H-indol-2-one is CCC1O/C(=C2/C(=O)Nc3ccc(F)cc32)c2cnc(NCCN3CCOCC3)cc21.
What is the InChIKey of (3E)-3-[1-ethyl-6-(2-morpholin-4-ylethylamino)-1H-furo[3,4-c]pyridin-3-ylidene]-5-fluoro-1H-indol-2-one?
The InChIKey is XUUIQHJKYYGTCR-QURGRASLSA-N. The full InChI is InChI=1S/C23H25FN4O3/c1-2-19-15-12-20(25-5-6-28-7-9-30-10-8-28)26-13-17(15)22(31-19)21-16-11-14(24)3-4-18(16)27-23(21)29/h3-4,11-13,19H,2,5-10H2,1H3,(H,25,26)(H,27,29)/b22-21+.
What are the key properties of (3E)-3-[1-ethyl-6-(2-morpholin-4-ylethylamino)-1H-furo[3,4-c]pyridin-3-ylidene]-5-fluoro-1H-indol-2-one?
(3E)-3-[1-ethyl-6-(2-morpholin-4-ylethylamino)-1H-furo[3,4-c]pyridin-3-ylidene]-5-fluoro-1H-indol-2-one has a molecular weight of 424.48 g/mol, XLogP of 3.27, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-[1-ethyl-6-(2-morpholin-4-ylethylamino)-1H-furo[3,4-c]pyridin-3-ylidene]-5-fluoro-1H-indol-2-one is sourced from PubChem (CID 58478844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).