6-fluoro-1-[5-[(5-fluoro-3-oxo-2-benzofuran-1-ylidene)methyl]-3-pyridinyl]-3-hydroxy-3-methylindol-2-one

C23H14F2N2O4 — CID 166492315

IUPAC6-fluoro-1-[5-[(5-fluoro-3-oxo-2-benzofuran-1-ylidene)methyl]-3-pyridinyl]-3-hydroxy-3-methylindol-2-one
SMILESCC1(O)C(=O)N(c2cncc(C=C3OC(=O)c4cc(F)ccc43)c2)c2cc(F)ccc21
InChIInChI=1S/C23H14F2N2O4/c1-23(30)18-5-3-14(25)9-19(18)27(22(23)29)15-6-12(10-26-11-15)7-20-16-4-2-13(24)8-17(16)21(28)31-20/h2-11,30H,1H3
InChIKeyYSMYEGMIETWKKW-UHFFFAOYSA-N
MW420.37 g/mol
LogP3.91
Rot. Bonds2

About 6-fluoro-1-[5-[(5-fluoro-3-oxo-2-benzofuran-1-ylidene)methyl]-3-pyridinyl]-3-hydroxy-3-methylindol-2-one

6-fluoro-1-[5-[(5-fluoro-3-oxo-2-benzofuran-1-ylidene)methyl]-3-pyridinyl]-3-hydroxy-3-methylindol-2-one (PubChem CID 166492315) has the molecular formula C23H14F2N2O4 and a molecular weight of 420.37 g/mol. Its IUPAC name is 6-fluoro-1-[5-[(5-fluoro-3-oxo-2-benzofuran-1-ylidene)methyl]-3-pyridinyl]-3-hydroxy-3-methylindol-2-one.

Molecular Properties

Compound Name6-fluoro-1-[5-[(5-fluoro-3-oxo-2-benzofuran-1-ylidene)methyl]-3-pyridinyl]-3-hydroxy-3-methylindol-2-one
PubChem CID166492315
Molecular FormulaC23H14F2N2O4
Molecular Weight420.37 g/mol
Exact Mass420.09
IUPAC Name6-fluoro-1-[5-[(5-fluoro-3-oxo-2-benzofuran-1-ylidene)methyl]-3-pyridinyl]-3-hydroxy-3-methylindol-2-one
SMILESCC1(O)C(=O)N(c2cncc(C=C3OC(=O)c4cc(F)ccc43)c2)c2cc(F)ccc21
InChIInChI=1S/C23H14F2N2O4/c1-23(30)18-5-3-14(25)9-19(18)27(22(23)29)15-6-12(10-26-11-15)7-20-16-4-2-13(24)8-17(16)21(28)31-20/h2-11,30H,1H3
InChIKeyYSMYEGMIETWKKW-UHFFFAOYSA-N
XLogP3.91
TPSA79.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.37
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-fluoro-1-[5-[(5-fluoro-3-oxo-2-benzofuran-1-ylidene)methyl]-3-pyridinyl]-3-hydroxy-3-methylindol-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 6-fluoro-1-[5-[(5-fluoro-3-oxo-2-benzofuran-1-ylidene)methyl]-3-pyridinyl]-3-hydroxy-3-methylindol-2-one?
The IUPAC name of 6-fluoro-1-[5-[(5-fluoro-3-oxo-2-benzofuran-1-ylidene)methyl]-3-pyridinyl]-3-hydroxy-3-methylindol-2-one (CID 166492315) is 6-fluoro-1-[5-[(5-fluoro-3-oxo-2-benzofuran-1-ylidene)methyl]-3-pyridinyl]-3-hydroxy-3-methylindol-2-one.
What is the SMILES notation for 6-fluoro-1-[5-[(5-fluoro-3-oxo-2-benzofuran-1-ylidene)methyl]-3-pyridinyl]-3-hydroxy-3-methylindol-2-one?
The canonical SMILES for 6-fluoro-1-[5-[(5-fluoro-3-oxo-2-benzofuran-1-ylidene)methyl]-3-pyridinyl]-3-hydroxy-3-methylindol-2-one is CC1(O)C(=O)N(c2cncc(C=C3OC(=O)c4cc(F)ccc43)c2)c2cc(F)ccc21.
What is the InChIKey of 6-fluoro-1-[5-[(5-fluoro-3-oxo-2-benzofuran-1-ylidene)methyl]-3-pyridinyl]-3-hydroxy-3-methylindol-2-one?
The InChIKey is YSMYEGMIETWKKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14F2N2O4/c1-23(30)18-5-3-14(25)9-19(18)27(22(23)29)15-6-12(10-26-11-15)7-20-16-4-2-13(24)8-17(16)21(28)31-20/h2-11,30H,1H3.
What are the key properties of 6-fluoro-1-[5-[(5-fluoro-3-oxo-2-benzofuran-1-ylidene)methyl]-3-pyridinyl]-3-hydroxy-3-methylindol-2-one?
6-fluoro-1-[5-[(5-fluoro-3-oxo-2-benzofuran-1-ylidene)methyl]-3-pyridinyl]-3-hydroxy-3-methylindol-2-one has a molecular weight of 420.37 g/mol, XLogP of 3.91, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-1-[5-[(5-fluoro-3-oxo-2-benzofuran-1-ylidene)methyl]-3-pyridinyl]-3-hydroxy-3-methylindol-2-one is sourced from PubChem (CID 166492315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).