2-[5-(3-oxo-2,5-dihydro-1H-imidazo[1,2-a]pyridin-2-yl)penta-2,4-dienylidene]imidazo[1,2-a]pyridin-3-one

C19H16N4O2 — CID 91520628

IUPAC2-[5-(3-oxo-2,5-dihydro-1H-imidazo[1,2-a]pyridin-2-yl)penta-2,4-dienylidene]imidazo[1,2-a]pyridin-3-one
SMILESO=C1C(=CC=CC=CC2NC3=CC=CCN3C2=O)N=C2C=CC=CN12
InChIInChI=1S/C19H16N4O2/c24-18-14(20-16-10-4-6-12-22(16)18)8-2-1-3-9-15-19(25)23-13-7-5-11-17(23)21-15/h1-12,15,21H,13H2
InChIKeyWPGCXWPBLGLYNU-UHFFFAOYSA-N
MW332.36 g/mol
LogP1.52
Rot. Bonds3

About 2-[5-(3-oxo-2,5-dihydro-1H-imidazo[1,2-a]pyridin-2-yl)penta-2,4-dienylidene]imidazo[1,2-a]pyridin-3-one

2-[5-(3-oxo-2,5-dihydro-1H-imidazo[1,2-a]pyridin-2-yl)penta-2,4-dienylidene]imidazo[1,2-a]pyridin-3-one (PubChem CID 91520628) has the molecular formula C19H16N4O2 and a molecular weight of 332.36 g/mol. Its IUPAC name is 2-[5-(3-oxo-2,5-dihydro-1H-imidazo[1,2-a]pyridin-2-yl)penta-2,4-dienylidene]imidazo[1,2-a]pyridin-3-one.

Molecular Properties

Compound Name2-[5-(3-oxo-2,5-dihydro-1H-imidazo[1,2-a]pyridin-2-yl)penta-2,4-dienylidene]imidazo[1,2-a]pyridin-3-one
PubChem CID91520628
Molecular FormulaC19H16N4O2
Molecular Weight332.36 g/mol
Exact Mass332.13
IUPAC Name2-[5-(3-oxo-2,5-dihydro-1H-imidazo[1,2-a]pyridin-2-yl)penta-2,4-dienylidene]imidazo[1,2-a]pyridin-3-one
SMILESO=C1C(=CC=CC=CC2NC3=CC=CCN3C2=O)N=C2C=CC=CN12
InChIInChI=1S/C19H16N4O2/c24-18-14(20-16-10-4-6-12-22(16)18)8-2-1-3-9-15-19(25)23-13-7-5-11-17(23)21-15/h1-12,15,21H,13H2
InChIKeyWPGCXWPBLGLYNU-UHFFFAOYSA-N
XLogP1.52
TPSA65.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(3-oxo-2,5-dihydro-1H-imidazo[1,2-a]pyridin-2-yl)penta-2,4-dienylidene]imidazo[1,2-a]pyridin-3-one?
The IUPAC name of 2-[5-(3-oxo-2,5-dihydro-1H-imidazo[1,2-a]pyridin-2-yl)penta-2,4-dienylidene]imidazo[1,2-a]pyridin-3-one (CID 91520628) is 2-[5-(3-oxo-2,5-dihydro-1H-imidazo[1,2-a]pyridin-2-yl)penta-2,4-dienylidene]imidazo[1,2-a]pyridin-3-one.
What is the SMILES notation for 2-[5-(3-oxo-2,5-dihydro-1H-imidazo[1,2-a]pyridin-2-yl)penta-2,4-dienylidene]imidazo[1,2-a]pyridin-3-one?
The canonical SMILES for 2-[5-(3-oxo-2,5-dihydro-1H-imidazo[1,2-a]pyridin-2-yl)penta-2,4-dienylidene]imidazo[1,2-a]pyridin-3-one is O=C1C(=CC=CC=CC2NC3=CC=CCN3C2=O)N=C2C=CC=CN12.
What is the InChIKey of 2-[5-(3-oxo-2,5-dihydro-1H-imidazo[1,2-a]pyridin-2-yl)penta-2,4-dienylidene]imidazo[1,2-a]pyridin-3-one?
The InChIKey is WPGCXWPBLGLYNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O2/c24-18-14(20-16-10-4-6-12-22(16)18)8-2-1-3-9-15-19(25)23-13-7-5-11-17(23)21-15/h1-12,15,21H,13H2.
What are the key properties of 2-[5-(3-oxo-2,5-dihydro-1H-imidazo[1,2-a]pyridin-2-yl)penta-2,4-dienylidene]imidazo[1,2-a]pyridin-3-one?
2-[5-(3-oxo-2,5-dihydro-1H-imidazo[1,2-a]pyridin-2-yl)penta-2,4-dienylidene]imidazo[1,2-a]pyridin-3-one has a molecular weight of 332.36 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(3-oxo-2,5-dihydro-1H-imidazo[1,2-a]pyridin-2-yl)penta-2,4-dienylidene]imidazo[1,2-a]pyridin-3-one is sourced from PubChem (CID 91520628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).