4-(1,3-benzodioxol-5-yl)-2-pyridin-2-ylindeno[1,2-b]pyridin-5-one

C24H14N2O3 — CID 102085466

IUPAC4-(1,3-benzodioxol-5-yl)-2-pyridin-2-ylindeno[1,2-b]pyridin-5-one
SMILESO=C1c2ccccc2-c2nc(-c3ccccn3)cc(-c3ccc4c(c3)OCO4)c21
InChIInChI=1S/C24H14N2O3/c27-24-16-6-2-1-5-15(16)23-22(24)17(12-19(26-23)18-7-3-4-10-25-18)14-8-9-20-21(11-14)29-13-28-20/h1-12H,13H2
InChIKeyFSRJRIPEMCSHSF-UHFFFAOYSA-N
MW378.39 g/mol
LogP4.75
Rot. Bonds2

About 4-(1,3-benzodioxol-5-yl)-2-pyridin-2-ylindeno[1,2-b]pyridin-5-one

4-(1,3-benzodioxol-5-yl)-2-pyridin-2-ylindeno[1,2-b]pyridin-5-one (PubChem CID 102085466) has the molecular formula C24H14N2O3 and a molecular weight of 378.39 g/mol. Its IUPAC name is 4-(1,3-benzodioxol-5-yl)-2-pyridin-2-ylindeno[1,2-b]pyridin-5-one.

Molecular Properties

Compound Name4-(1,3-benzodioxol-5-yl)-2-pyridin-2-ylindeno[1,2-b]pyridin-5-one
PubChem CID102085466
Molecular FormulaC24H14N2O3
Molecular Weight378.39 g/mol
Exact Mass378.10
IUPAC Name4-(1,3-benzodioxol-5-yl)-2-pyridin-2-ylindeno[1,2-b]pyridin-5-one
SMILESO=C1c2ccccc2-c2nc(-c3ccccn3)cc(-c3ccc4c(c3)OCO4)c21
InChIInChI=1S/C24H14N2O3/c27-24-16-6-2-1-5-15(16)23-22(24)17(12-19(26-23)18-7-3-4-10-25-18)14-8-9-20-21(11-14)29-13-28-20/h1-12H,13H2
InChIKeyFSRJRIPEMCSHSF-UHFFFAOYSA-N
XLogP4.75
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.39
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(1,3-benzodioxol-5-yl)-5-pyridin-2-yl-1H-pyrazol-3-amine
CID 62824445
N-(1,3-benzodioxol-5-yl)-6-pyridin-2-ylpyridine-3-carboxamide
CID 110681883
N-(3-pyridin-2-yl-1,2-oxazol-5-yl)-1,3-benzodioxole-5-carboxamide
CID 53143107
2-(1,3-benzodioxol-5-yl)-6-(2-pyridin-2-yl-3H-benzimidazol-5-yl)-1H-benzimidazole
CID 118251196
4-(1,3-benzodioxol-5-yl)-2-phenylpyridine
CID 11623230
4-(1,3-benzodioxol-5-yl)-2-[2-(4-fluorophenyl)ethenyl]-5-oxoindeno[1,2-b]pyridine-3-carbonitrile
CID 3794719
3-(1,3-benzodioxol-5-yl)-4,7-phenanthroline
CID 71482313
3-pyridin-2-ylbenzo[g]quinoxaline-5,10-dione
CID 10732016
2-(1,3-benzodioxol-5-yl)benzoate
CID 7022485
3-(1,3-benzodioxol-5-yl)-5-pyridin-2-yl-1,4,2-dioxazole
CID 54578711
4-(1,3-benzodioxol-5-yl)-2-[2-(4-nitrophenyl)ethenyl]-5-oxoindeno[1,2-b]pyridine-3-carbonitrile
CID 3272114
2-(6-methylsulfanyl-1,3-benzodioxol-5-yl)pyridine
CID 135001402

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-benzodioxol-5-yl)-2-pyridin-2-ylindeno[1,2-b]pyridin-5-one?
The IUPAC name of 4-(1,3-benzodioxol-5-yl)-2-pyridin-2-ylindeno[1,2-b]pyridin-5-one (CID 102085466) is 4-(1,3-benzodioxol-5-yl)-2-pyridin-2-ylindeno[1,2-b]pyridin-5-one.
What is the SMILES notation for 4-(1,3-benzodioxol-5-yl)-2-pyridin-2-ylindeno[1,2-b]pyridin-5-one?
The canonical SMILES for 4-(1,3-benzodioxol-5-yl)-2-pyridin-2-ylindeno[1,2-b]pyridin-5-one is O=C1c2ccccc2-c2nc(-c3ccccn3)cc(-c3ccc4c(c3)OCO4)c21.
What is the InChIKey of 4-(1,3-benzodioxol-5-yl)-2-pyridin-2-ylindeno[1,2-b]pyridin-5-one?
The InChIKey is FSRJRIPEMCSHSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H14N2O3/c27-24-16-6-2-1-5-15(16)23-22(24)17(12-19(26-23)18-7-3-4-10-25-18)14-8-9-20-21(11-14)29-13-28-20/h1-12H,13H2.
What are the key properties of 4-(1,3-benzodioxol-5-yl)-2-pyridin-2-ylindeno[1,2-b]pyridin-5-one?
4-(1,3-benzodioxol-5-yl)-2-pyridin-2-ylindeno[1,2-b]pyridin-5-one has a molecular weight of 378.39 g/mol, XLogP of 4.75, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-benzodioxol-5-yl)-2-pyridin-2-ylindeno[1,2-b]pyridin-5-one is sourced from PubChem (CID 102085466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).