Chemical Components in the PDB

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NUQ : Summary

Code

NUQ

One-letter code

X

Molecule name

5-[5-(4-fluorophenyl)-1~{H}-imidazol-4-yl]-1-methyl-pyridin-2-one

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.7 5-[5-(4-fluorophenyl)-1~{H}-imidazol-4-yl]-1-methyl-pyridin-2-one

Formula

C15 H12 F N3 O

Formal charge

0

Molecular weight

269.274 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 CN1C=C(C=CC1=O)c2nc[nH]c2c3ccc(F)cc3
SMILES OpenEye OEToolkits 2.0.7 CN1C=C(C=CC1=O)c2c([nH]cn2)c3ccc(cc3)F
Canonical SMILES CACTVS 3.385 CN1C=C(C=CC1=O)c2nc[nH]c2c3ccc(F)cc3
Canonical SMILES OpenEye OEToolkits 2.0.7 CN1C=C(C=CC1=O)c2c([nH]cn2)c3ccc(cc3)F

IUPAC InChI

InChI=1S/C15H12FN3O/c1-19-8-11(4-7-13(19)20)15-14(17-9-18-15)10-2-5-12(16)6-3-10/h2-9H,1H3,(H,17,18)

IUPAC InChI key

QXLXUFQMLZRGPI-UHFFFAOYSA-N
NUQ

wwPDB Information

Atom count

32 (20 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2019-12-16

Last modified at

2020-02-14

Status

Released

Obsoleted

Not Assigned