(3Z)-3-[2-(diethylaminomethyl)-7H-furo[3,4-b]pyridin-5-ylidene]-5-fluoro-1H-indol-2-one

C20H20FN3O2 — CID 67315021

IUPAC(3Z)-3-[2-(diethylaminomethyl)-7H-furo[3,4-b]pyridin-5-ylidene]-5-fluoro-1H-indol-2-one
SMILESCCN(CC)Cc1ccc2c(n1)CO/C2=C1\C(=O)Nc2ccc(F)cc21
InChIInChI=1S/C20H20FN3O2/c1-3-24(4-2)10-13-6-7-14-17(22-13)11-26-19(14)18-15-9-12(21)5-8-16(15)23-20(18)25/h5-9H,3-4,10-11H2,1-2H3,(H,23,25)/b19-18-
InChIKeyIQXSJGHXBSPEJF-HNENSFHCSA-N
MW353.40 g/mol
LogP3.41
Rot. Bonds4

About (3Z)-3-[2-(diethylaminomethyl)-7H-furo[3,4-b]pyridin-5-ylidene]-5-fluoro-1H-indol-2-one

(3Z)-3-[2-(diethylaminomethyl)-7H-furo[3,4-b]pyridin-5-ylidene]-5-fluoro-1H-indol-2-one (PubChem CID 67315021) has the molecular formula C20H20FN3O2 and a molecular weight of 353.40 g/mol. Its IUPAC name is (3Z)-3-[2-(diethylaminomethyl)-7H-furo[3,4-b]pyridin-5-ylidene]-5-fluoro-1H-indol-2-one.

Molecular Properties

Compound Name(3Z)-3-[2-(diethylaminomethyl)-7H-furo[3,4-b]pyridin-5-ylidene]-5-fluoro-1H-indol-2-one
PubChem CID67315021
Molecular FormulaC20H20FN3O2
Molecular Weight353.40 g/mol
Exact Mass353.15
IUPAC Name(3Z)-3-[2-(diethylaminomethyl)-7H-furo[3,4-b]pyridin-5-ylidene]-5-fluoro-1H-indol-2-one
SMILESCCN(CC)Cc1ccc2c(n1)CO/C2=C1\C(=O)Nc2ccc(F)cc21
InChIInChI=1S/C20H20FN3O2/c1-3-24(4-2)10-13-6-7-14-17(22-13)11-26-19(14)18-15-9-12(21)5-8-16(15)23-20(18)25/h5-9H,3-4,10-11H2,1-2H3,(H,23,25)/b19-18-
InChIKeyIQXSJGHXBSPEJF-HNENSFHCSA-N
XLogP3.41
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3Z)-3-[2-(diethylaminomethyl)-7H-furo[3,4-b]pyridin-5-ylidene]-5-fluoro-1H-indol-2-one?
The IUPAC name of (3Z)-3-[2-(diethylaminomethyl)-7H-furo[3,4-b]pyridin-5-ylidene]-5-fluoro-1H-indol-2-one (CID 67315021) is (3Z)-3-[2-(diethylaminomethyl)-7H-furo[3,4-b]pyridin-5-ylidene]-5-fluoro-1H-indol-2-one.
What is the SMILES notation for (3Z)-3-[2-(diethylaminomethyl)-7H-furo[3,4-b]pyridin-5-ylidene]-5-fluoro-1H-indol-2-one?
The canonical SMILES for (3Z)-3-[2-(diethylaminomethyl)-7H-furo[3,4-b]pyridin-5-ylidene]-5-fluoro-1H-indol-2-one is CCN(CC)Cc1ccc2c(n1)CO/C2=C1\C(=O)Nc2ccc(F)cc21.
What is the InChIKey of (3Z)-3-[2-(diethylaminomethyl)-7H-furo[3,4-b]pyridin-5-ylidene]-5-fluoro-1H-indol-2-one?
The InChIKey is IQXSJGHXBSPEJF-HNENSFHCSA-N. The full InChI is InChI=1S/C20H20FN3O2/c1-3-24(4-2)10-13-6-7-14-17(22-13)11-26-19(14)18-15-9-12(21)5-8-16(15)23-20(18)25/h5-9H,3-4,10-11H2,1-2H3,(H,23,25)/b19-18-.
What are the key properties of (3Z)-3-[2-(diethylaminomethyl)-7H-furo[3,4-b]pyridin-5-ylidene]-5-fluoro-1H-indol-2-one?
(3Z)-3-[2-(diethylaminomethyl)-7H-furo[3,4-b]pyridin-5-ylidene]-5-fluoro-1H-indol-2-one has a molecular weight of 353.40 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-[2-(diethylaminomethyl)-7H-furo[3,4-b]pyridin-5-ylidene]-5-fluoro-1H-indol-2-one is sourced from PubChem (CID 67315021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).