1-(3-Formyl-4-nitrophenyl)-4-(7-methylimidazo[1,2-a]pyridine-2-carbonyl)piperazine

HCID 20072846

Notes Reactions

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Basic information

Standard SMILES: Cc1ccn2cc(C(=O)N3CCN(c4ccc([N+](=O)[O-])c(C=O)c4)CC3)nc2c1
InChIKey: FQWUBDQURXBZPH-UHFFFAOYSA-N
Molecular formula: C20H19N5O4
Average molar mass: 393.4 g/mol

Names & identifiers

Preferred name: 1-(3-Formyl-4-nitrophenyl)-4-(7-methylimidazo[1,2-a]pyridine-2-carbonyl)piperazine
IUPAC: 5-[4-(7-methylimidazo[1,2-a]pyridine-2-carbonyl)piperazin-1-yl]-2-nitrobenzaldehyde

Names & synonyms

SCHEMBL7267890FQWUBDQURXBZPH-UHFFFAOYSA-N1-(3-formyl-4-nitrophenyl)-4-(7-methylimidazo[1,2-a]pyridine-2-carbonyl)piperazine1-(3-formyl-4-nitrophenyl)-4-(7methylimidazo[1,2-a]pyridine-2-carbonyl)piperazine

Database identifiers

PubChem CID: 20072846

Properties

Computed structural properties

XLogP: 2.8
Topological polar surface area: 104 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 6
Rotatable bonds: 3
Heavy atoms: 29
Formal charge: 0
Complexity: 633

Related reactions

4 records

New reaction record

HRID 207216As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 669027As productTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

HRID 704629As productuspto-grants-1991_01

HRID 704630As reactantuspto-grants-1991_01

Compound notes

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