4-(4-fluorophenyl)-2-methyl-5-oxo-3,4-dihydroindeno[1,2-b]pyridine-3-carbonitrile

C20H13FN2O — CID 74687035

IUPAC4-(4-fluorophenyl)-2-methyl-5-oxo-3,4-dihydroindeno[1,2-b]pyridine-3-carbonitrile
SMILESCC1=NC2=C(C(=O)c3ccccc32)C(c2ccc(F)cc2)C1C#N
InChIInChI=1S/C20H13FN2O/c1-11-16(10-22)17(12-6-8-13(21)9-7-12)18-19(23-11)14-4-2-3-5-15(14)20(18)24/h2-9,16-17H,1H3
InChIKeyBFVYOOGPELXFQR-UHFFFAOYSA-N
MW316.33 g/mol
LogP4.13
Rot. Bonds1

About 4-(4-fluorophenyl)-2-methyl-5-oxo-3,4-dihydroindeno[1,2-b]pyridine-3-carbonitrile

4-(4-fluorophenyl)-2-methyl-5-oxo-3,4-dihydroindeno[1,2-b]pyridine-3-carbonitrile (PubChem CID 74687035) has the molecular formula C20H13FN2O and a molecular weight of 316.33 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-2-methyl-5-oxo-3,4-dihydroindeno[1,2-b]pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-(4-fluorophenyl)-2-methyl-5-oxo-3,4-dihydroindeno[1,2-b]pyridine-3-carbonitrile
PubChem CID74687035
Molecular FormulaC20H13FN2O
Molecular Weight316.33 g/mol
Exact Mass316.10
IUPAC Name4-(4-fluorophenyl)-2-methyl-5-oxo-3,4-dihydroindeno[1,2-b]pyridine-3-carbonitrile
SMILESCC1=NC2=C(C(=O)c3ccccc32)C(c2ccc(F)cc2)C1C#N
InChIInChI=1S/C20H13FN2O/c1-11-16(10-22)17(12-6-8-13(21)9-7-12)18-19(23-11)14-4-2-3-5-15(14)20(18)24/h2-9,16-17H,1H3
InChIKeyBFVYOOGPELXFQR-UHFFFAOYSA-N
XLogP4.13
TPSA53.22 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.33
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-(4-fluorophenyl)-2-methyl-5-oxo-3,4-dihydroindeno[1,2-b]pyridine-3-carbonitrile 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 4-(4-fluorophenyl)-2-methyl-5-oxo-3,4-dihydroindeno[1,2-b]pyridine-3-carbonitrile?
The IUPAC name of 4-(4-fluorophenyl)-2-methyl-5-oxo-3,4-dihydroindeno[1,2-b]pyridine-3-carbonitrile (CID 74687035) is 4-(4-fluorophenyl)-2-methyl-5-oxo-3,4-dihydroindeno[1,2-b]pyridine-3-carbonitrile.
What is the SMILES notation for 4-(4-fluorophenyl)-2-methyl-5-oxo-3,4-dihydroindeno[1,2-b]pyridine-3-carbonitrile?
The canonical SMILES for 4-(4-fluorophenyl)-2-methyl-5-oxo-3,4-dihydroindeno[1,2-b]pyridine-3-carbonitrile is CC1=NC2=C(C(=O)c3ccccc32)C(c2ccc(F)cc2)C1C#N.
What is the InChIKey of 4-(4-fluorophenyl)-2-methyl-5-oxo-3,4-dihydroindeno[1,2-b]pyridine-3-carbonitrile?
The InChIKey is BFVYOOGPELXFQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13FN2O/c1-11-16(10-22)17(12-6-8-13(21)9-7-12)18-19(23-11)14-4-2-3-5-15(14)20(18)24/h2-9,16-17H,1H3.
What are the key properties of 4-(4-fluorophenyl)-2-methyl-5-oxo-3,4-dihydroindeno[1,2-b]pyridine-3-carbonitrile?
4-(4-fluorophenyl)-2-methyl-5-oxo-3,4-dihydroindeno[1,2-b]pyridine-3-carbonitrile has a molecular weight of 316.33 g/mol, XLogP of 4.13, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-2-methyl-5-oxo-3,4-dihydroindeno[1,2-b]pyridine-3-carbonitrile is sourced from PubChem (CID 74687035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).