Chemical Components in the PDB

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F4G : Summary

Code

F4G

One-letter code

X

Molecule name

3-(pyridin-3-yl)imidazo[1,2-a]pyridine-8-carboxamide

Systematic names

ProgramVersionName
ACDLabs 12.01 3-(pyridin-3-yl)imidazo[1,2-a]pyridine-8-carboxamide
OpenEye OEToolkits 2.0.6 3-pyridin-3-ylimidazo[1,2-a]pyridine-8-carboxamide

Formula

C13 H10 N4 O

Formal charge

0

Molecular weight

238.245 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O=C(N)c1c2n(ccc1)c(cn2)c3cnccc3
SMILES CACTVS 3.385 NC(=O)c1cccn2c(cnc12)c3cccnc3
SMILES OpenEye OEToolkits 2.0.6 c1cc(cnc1)c2cnc3n2cccc3C(=O)N
Canonical SMILES CACTVS 3.385 NC(=O)c1cccn2c(cnc12)c3cccnc3
Canonical SMILES OpenEye OEToolkits 2.0.6 c1cc(cnc1)c2cnc3n2cccc3C(=O)N

IUPAC InChI

InChI=1S/C13H10N4O/c14-12(18)10-4-2-6-17-11(8-16-13(10)17)9-3-1-5-15-7-9/h1-8H,(H2,14,18)

IUPAC InChI key

WEFADYMRJJMXCA-UHFFFAOYSA-N
F4G

wwPDB Information

Atom count

28 (18 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2018-02-27

Last modified at

2018-05-04

Status

Released

Obsoleted

Not Assigned