CHEBI:147378 - 5-methyl-2-[4-methyl-5-oxo-4-(propan-2-yl)-4,5-dihydro-1H-imidazol-2-yl]pyridine-3-carboxylic acid

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ChEBI Name 5-methyl-2-[4-methyl-5-oxo-4-(propan-2-yl)-4,5-dihydro-1H-imidazol-2-yl]pyridine-3-carboxylic acid
ChEBI ID CHEBI:147378
ChEBI ASCII Name 5-methyl-2-[4-methyl-5-oxo-4-(propan-2-yl)-4,5-dihydro-1H-imidazol-2-yl]pyridine-3-carboxylic acid
Definition A pyridinemonocarboxylic acid that is 5-methylpyridine-3-carboxylic acid which is substituted at position 2 by a 4,5-dihydro-imidazol-2-yl group, which in turn is substituted at positions 4, 4, and 5 by isopropyl, methyl, and oxo groups, respectively.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C14H17N3O3
Net Charge 0
Average Mass 275.308
Monoisotopic Mass 275.12699
InChI InChI=1S/C14H17N3O3/c1-7(2)14(4)13(20)16-11(17-14)10-9(12(18)19)5-8(3)6-15-10/h5-7H,1-4H3,(H,18,19)(H,16,17,20)
InChIKey PVSGXWMWNRGTKE-UHFFFAOYSA-N
SMILES C=1(C(=CC(=CN1)C)C(O)=O)C=2NC(C(N2)(C)C(C)C)=O
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
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ChEBI Ontology
Outgoing 5-methyl-2-[4-methyl-5-oxo-4-(propan-2-yl)-4,5-dihydro-1H-imidazol-2-yl]pyridine-3-carboxylic acid (CHEBI:147378) is a imidazolines (CHEBI:53095)
5-methyl-2-[4-methyl-5-oxo-4-(propan-2-yl)-4,5-dihydro-1H-imidazol-2-yl]pyridine-3-carboxylic acid (CHEBI:147378) is a imidazolone (CHEBI:20432)
5-methyl-2-[4-methyl-5-oxo-4-(propan-2-yl)-4,5-dihydro-1H-imidazol-2-yl]pyridine-3-carboxylic acid (CHEBI:147378) is a methylpyridines (CHEBI:25340)
5-methyl-2-[4-methyl-5-oxo-4-(propan-2-yl)-4,5-dihydro-1H-imidazol-2-yl]pyridine-3-carboxylic acid (CHEBI:147378) is a pyridinemonocarboxylic acid (CHEBI:26420)
Incoming (R)-imazapic (CHEBI:147367) is a 5-methyl-2-[4-methyl-5-oxo-4-(propan-2-yl)-4,5-dihydro-1H-imidazol-2-yl]pyridine-3-carboxylic acid (CHEBI:147378)
(S)-imazapic (CHEBI:147368) is a 5-methyl-2-[4-methyl-5-oxo-4-(propan-2-yl)-4,5-dihydro-1H-imidazol-2-yl]pyridine-3-carboxylic acid (CHEBI:147378)
IUPAC Name
5-methyl-2-[4-methyl-5-oxo-4-(propan-2-yl)-4,5-dihydro-1H-imidazol-2-yl]pyridine-3-carboxylic acid
Last Modified
02 April 2020
General Comment
2020-04-02 This is the entry for material with unspecified stereochemistry. There are separate entries for the racemate (imazapic) and its individual enantiomers, (R)- and (S)-imazapic.