(3E)-3-[7-chloro-6-[2-(dimethylamino)ethylamino]-1H-furo[3,4-c]pyridin-3-ylidene]-5-fluoro-1H-indol-2-one

C19H18ClFN4O2 — CID 58478752

IUPAC(3E)-3-[7-chloro-6-[2-(dimethylamino)ethylamino]-1H-furo[3,4-c]pyridin-3-ylidene]-5-fluoro-1H-indol-2-one
SMILESCN(C)CCNc1ncc2c(c1Cl)CO/C2=C1/C(=O)Nc2ccc(F)cc21
InChIInChI=1S/C19H18ClFN4O2/c1-25(2)6-5-22-18-16(20)13-9-27-17(12(13)8-23-18)15-11-7-10(21)3-4-14(11)24-19(15)26/h3-4,7-8H,5-6,9H2,1-2H3,(H,22,23)(H,24,26)/b17-15+
InChIKeyYOOCFKJIKMWMHM-BMRADRMJSA-N
MW388.83 g/mol
LogP3.20
Rot. Bonds4

About (3E)-3-[7-chloro-6-[2-(dimethylamino)ethylamino]-1H-furo[3,4-c]pyridin-3-ylidene]-5-fluoro-1H-indol-2-one

(3E)-3-[7-chloro-6-[2-(dimethylamino)ethylamino]-1H-furo[3,4-c]pyridin-3-ylidene]-5-fluoro-1H-indol-2-one (PubChem CID 58478752) has the molecular formula C19H18ClFN4O2 and a molecular weight of 388.83 g/mol. Its IUPAC name is (3E)-3-[7-chloro-6-[2-(dimethylamino)ethylamino]-1H-furo[3,4-c]pyridin-3-ylidene]-5-fluoro-1H-indol-2-one.

Molecular Properties

Compound Name(3E)-3-[7-chloro-6-[2-(dimethylamino)ethylamino]-1H-furo[3,4-c]pyridin-3-ylidene]-5-fluoro-1H-indol-2-one
PubChem CID58478752
Molecular FormulaC19H18ClFN4O2
Molecular Weight388.83 g/mol
Exact Mass388.11
IUPAC Name(3E)-3-[7-chloro-6-[2-(dimethylamino)ethylamino]-1H-furo[3,4-c]pyridin-3-ylidene]-5-fluoro-1H-indol-2-one
SMILESCN(C)CCNc1ncc2c(c1Cl)CO/C2=C1/C(=O)Nc2ccc(F)cc21
InChIInChI=1S/C19H18ClFN4O2/c1-25(2)6-5-22-18-16(20)13-9-27-17(12(13)8-23-18)15-11-7-10(21)3-4-14(11)24-19(15)26/h3-4,7-8H,5-6,9H2,1-2H3,(H,22,23)(H,24,26)/b17-15+
InChIKeyYOOCFKJIKMWMHM-BMRADRMJSA-N
XLogP3.20
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.83
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (3E)-3-[7-chloro-6-[2-(dimethylamino)ethylamino]-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-[7-chloro-6-[2-(dimethylamino)ethylamino]-1H-furo[3,4-c]pyridin-3-ylidene]-5-fluoro-1H-indol-2-one?
The IUPAC name of (3E)-3-[7-chloro-6-[2-(dimethylamino)ethylamino]-1H-furo[3,4-c]pyridin-3-ylidene]-5-fluoro-1H-indol-2-one (CID 58478752) is (3E)-3-[7-chloro-6-[2-(dimethylamino)ethylamino]-1H-furo[3,4-c]pyridin-3-ylidene]-5-fluoro-1H-indol-2-one.
What is the SMILES notation for (3E)-3-[7-chloro-6-[2-(dimethylamino)ethylamino]-1H-furo[3,4-c]pyridin-3-ylidene]-5-fluoro-1H-indol-2-one?
The canonical SMILES for (3E)-3-[7-chloro-6-[2-(dimethylamino)ethylamino]-1H-furo[3,4-c]pyridin-3-ylidene]-5-fluoro-1H-indol-2-one is CN(C)CCNc1ncc2c(c1Cl)CO/C2=C1/C(=O)Nc2ccc(F)cc21.
What is the InChIKey of (3E)-3-[7-chloro-6-[2-(dimethylamino)ethylamino]-1H-furo[3,4-c]pyridin-3-ylidene]-5-fluoro-1H-indol-2-one?
The InChIKey is YOOCFKJIKMWMHM-BMRADRMJSA-N. The full InChI is InChI=1S/C19H18ClFN4O2/c1-25(2)6-5-22-18-16(20)13-9-27-17(12(13)8-23-18)15-11-7-10(21)3-4-14(11)24-19(15)26/h3-4,7-8H,5-6,9H2,1-2H3,(H,22,23)(H,24,26)/b17-15+.
What are the key properties of (3E)-3-[7-chloro-6-[2-(dimethylamino)ethylamino]-1H-furo[3,4-c]pyridin-3-ylidene]-5-fluoro-1H-indol-2-one?
(3E)-3-[7-chloro-6-[2-(dimethylamino)ethylamino]-1H-furo[3,4-c]pyridin-3-ylidene]-5-fluoro-1H-indol-2-one has a molecular weight of 388.83 g/mol, XLogP of 3.20, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-[7-chloro-6-[2-(dimethylamino)ethylamino]-1H-furo[3,4-c]pyridin-3-ylidene]-5-fluoro-1H-indol-2-one is sourced from PubChem (CID 58478752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).