2-[2-(dimethylamino)ethenyl]-4-(2-fluorophenyl)-5-oxoindeno[1,2-b]pyridine-3-carbonitrile

C23H16FN3O — CID 1485506

IUPAC2-[2-(dimethylamino)ethenyl]-4-(2-fluorophenyl)-5-oxoindeno[1,2-b]pyridine-3-carbonitrile
SMILESCN(C)C=Cc1nc2c(c(-c3ccccc3F)c1C#N)C(=O)c1ccccc1-2
InChIInChI=1S/C23H16FN3O/c1-27(2)12-11-19-17(13-25)20(16-9-5-6-10-18(16)24)21-22(26-19)14-7-3-4-8-15(14)23(21)28/h3-12H,1-2H3
InChIKeyMSYRDFBOCBABMR-UHFFFAOYSA-N
MW369.40 g/mol
LogP4.50
Rot. Bonds3

About 2-[2-(dimethylamino)ethenyl]-4-(2-fluorophenyl)-5-oxoindeno[1,2-b]pyridine-3-carbonitrile

2-[2-(dimethylamino)ethenyl]-4-(2-fluorophenyl)-5-oxoindeno[1,2-b]pyridine-3-carbonitrile (PubChem CID 1485506) has the molecular formula C23H16FN3O and a molecular weight of 369.40 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethenyl]-4-(2-fluorophenyl)-5-oxoindeno[1,2-b]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethenyl]-4-(2-fluorophenyl)-5-oxoindeno[1,2-b]pyridine-3-carbonitrile
PubChem CID1485506
Molecular FormulaC23H16FN3O
Molecular Weight369.40 g/mol
Exact Mass369.13
IUPAC Name2-[2-(dimethylamino)ethenyl]-4-(2-fluorophenyl)-5-oxoindeno[1,2-b]pyridine-3-carbonitrile
SMILESCN(C)C=Cc1nc2c(c(-c3ccccc3F)c1C#N)C(=O)c1ccccc1-2
InChIInChI=1S/C23H16FN3O/c1-27(2)12-11-19-17(13-25)20(16-9-5-6-10-18(16)24)21-22(26-19)14-7-3-4-8-15(14)23(21)28/h3-12H,1-2H3
InChIKeyMSYRDFBOCBABMR-UHFFFAOYSA-N
XLogP4.50
TPSA56.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.40
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_phenone_A(11)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethenyl]-4-(2-fluorophenyl)-5-oxoindeno[1,2-b]pyridine-3-carbonitrile?
The IUPAC name of 2-[2-(dimethylamino)ethenyl]-4-(2-fluorophenyl)-5-oxoindeno[1,2-b]pyridine-3-carbonitrile (CID 1485506) is 2-[2-(dimethylamino)ethenyl]-4-(2-fluorophenyl)-5-oxoindeno[1,2-b]pyridine-3-carbonitrile.
What is the SMILES notation for 2-[2-(dimethylamino)ethenyl]-4-(2-fluorophenyl)-5-oxoindeno[1,2-b]pyridine-3-carbonitrile?
The canonical SMILES for 2-[2-(dimethylamino)ethenyl]-4-(2-fluorophenyl)-5-oxoindeno[1,2-b]pyridine-3-carbonitrile is CN(C)C=Cc1nc2c(c(-c3ccccc3F)c1C#N)C(=O)c1ccccc1-2.
What is the InChIKey of 2-[2-(dimethylamino)ethenyl]-4-(2-fluorophenyl)-5-oxoindeno[1,2-b]pyridine-3-carbonitrile?
The InChIKey is MSYRDFBOCBABMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16FN3O/c1-27(2)12-11-19-17(13-25)20(16-9-5-6-10-18(16)24)21-22(26-19)14-7-3-4-8-15(14)23(21)28/h3-12H,1-2H3.
What are the key properties of 2-[2-(dimethylamino)ethenyl]-4-(2-fluorophenyl)-5-oxoindeno[1,2-b]pyridine-3-carbonitrile?
2-[2-(dimethylamino)ethenyl]-4-(2-fluorophenyl)-5-oxoindeno[1,2-b]pyridine-3-carbonitrile has a molecular weight of 369.40 g/mol, XLogP of 4.50, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethenyl]-4-(2-fluorophenyl)-5-oxoindeno[1,2-b]pyridine-3-carbonitrile is sourced from PubChem (CID 1485506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).