3-nitro-1-[(2-phenylimidazo[1,2-a]pyridin-3-yl)methyl]pyridin-4-one

C19H14N4O3 — CID 75379816

IUPAC3-nitro-1-[(2-phenylimidazo[1,2-a]pyridin-3-yl)methyl]pyridin-4-one
SMILESO=c1ccn(Cc2c(-c3ccccc3)nc3ccccn23)cc1[N+](=O)[O-]
InChIInChI=1S/C19H14N4O3/c24-17-9-11-21(12-15(17)23(25)26)13-16-19(14-6-2-1-3-7-14)20-18-8-4-5-10-22(16)18/h1-12H,13H2
InChIKeyWJKQRXFZKNMWAI-UHFFFAOYSA-N
MW346.35 g/mol
LogP3.12
Rot. Bonds4

About 3-nitro-1-[(2-phenylimidazo[1,2-a]pyridin-3-yl)methyl]pyridin-4-one

3-nitro-1-[(2-phenylimidazo[1,2-a]pyridin-3-yl)methyl]pyridin-4-one (PubChem CID 75379816) has the molecular formula C19H14N4O3 and a molecular weight of 346.35 g/mol. Its IUPAC name is 3-nitro-1-[(2-phenylimidazo[1,2-a]pyridin-3-yl)methyl]pyridin-4-one.

Molecular Properties

Compound Name3-nitro-1-[(2-phenylimidazo[1,2-a]pyridin-3-yl)methyl]pyridin-4-one
PubChem CID75379816
Molecular FormulaC19H14N4O3
Molecular Weight346.35 g/mol
Exact Mass346.11
IUPAC Name3-nitro-1-[(2-phenylimidazo[1,2-a]pyridin-3-yl)methyl]pyridin-4-one
SMILESO=c1ccn(Cc2c(-c3ccccc3)nc3ccccn23)cc1[N+](=O)[O-]
InChIInChI=1S/C19H14N4O3/c24-17-9-11-21(12-15(17)23(25)26)13-16-19(14-6-2-1-3-7-14)20-18-8-4-5-10-22(16)18/h1-12H,13H2
InChIKeyWJKQRXFZKNMWAI-UHFFFAOYSA-N
XLogP3.12
TPSA82.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.35
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-3-nitropyridin-4-one
CID 71970710
(2-phenylimidazo[1,2-a]pyridin-3-yl)methanol
CID 15455971
3-(chloromethyl)-2-(3-nitrophenyl)imidazo[1,2-a]pyridine
CID 82029732
(2R)-1-[(2-phenylimidazo[1,2-a]pyridin-3-yl)methyl]pyrrolidine-2-carboxylic acid
CID 119934738
2-[(2-nitrophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 115579355
5-(methoxymethyl)-3-[(2-phenylimidazo[1,2-a]pyridin-3-yl)methyl]-1,3,4-oxadiazol-2-one
CID 75446420
3-(2-nitroanilino)-N-(2-phenylimidazo[1,2-a]pyridin-3-yl)propanamide
CID 55513544
1-[(5-fluoro-2-methylphenyl)methyl]-3-nitropyridin-4-one
CID 99825201
1-[[5-(3-fluorophenyl)-1,3-oxazol-2-yl]methyl]-3-nitropyridin-4-one
CID 71970701
3-nitro-1-[2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl]pyridin-4-one
CID 99630050
3-(chloromethyl)-2-(4-methylphenyl)imidazo[1,2-a]pyridine
CID 39126150
2-(3-nitrophenyl)imidazo[1,2-a]pyridine-3-carbaldehyde
CID 2760202

Frequently Asked Questions

What is the IUPAC name of 3-nitro-1-[(2-phenylimidazo[1,2-a]pyridin-3-yl)methyl]pyridin-4-one?
The IUPAC name of 3-nitro-1-[(2-phenylimidazo[1,2-a]pyridin-3-yl)methyl]pyridin-4-one (CID 75379816) is 3-nitro-1-[(2-phenylimidazo[1,2-a]pyridin-3-yl)methyl]pyridin-4-one.
What is the SMILES notation for 3-nitro-1-[(2-phenylimidazo[1,2-a]pyridin-3-yl)methyl]pyridin-4-one?
The canonical SMILES for 3-nitro-1-[(2-phenylimidazo[1,2-a]pyridin-3-yl)methyl]pyridin-4-one is O=c1ccn(Cc2c(-c3ccccc3)nc3ccccn23)cc1[N+](=O)[O-].
What is the InChIKey of 3-nitro-1-[(2-phenylimidazo[1,2-a]pyridin-3-yl)methyl]pyridin-4-one?
The InChIKey is WJKQRXFZKNMWAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N4O3/c24-17-9-11-21(12-15(17)23(25)26)13-16-19(14-6-2-1-3-7-14)20-18-8-4-5-10-22(16)18/h1-12H,13H2.
What are the key properties of 3-nitro-1-[(2-phenylimidazo[1,2-a]pyridin-3-yl)methyl]pyridin-4-one?
3-nitro-1-[(2-phenylimidazo[1,2-a]pyridin-3-yl)methyl]pyridin-4-one has a molecular weight of 346.35 g/mol, XLogP of 3.12, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-nitro-1-[(2-phenylimidazo[1,2-a]pyridin-3-yl)methyl]pyridin-4-one is sourced from PubChem (CID 75379816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).