Chemical Components in the PDB

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PIQ : Summary

Code

PIQ

One-letter code

X

Molecule name

2-AMINO-1-METHYL-6-PHENYLIMIDAZO[4,5-B]PYRIDINE

Systematic names

ProgramVersionName
ACDLabs 10.04 1-methyl-6-phenyl-1H-imidazo[4,5-b]pyridin-2-amine
OpenEye OEToolkits 1.5.0 1-methyl-6-phenyl-imidazo[4,5-b]pyridin-2-amine

Formula

C13 H12 N4

Formal charge

0

Molecular weight

224.261 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 n1cc(cc2c1nc(n2C)N)c3ccccc3
SMILES CACTVS 3.341 Cn1c(N)nc2ncc(cc12)c3ccccc3
SMILES OpenEye OEToolkits 1.5.0 Cn1c2cc(cnc2nc1N)c3ccccc3
Canonical SMILES CACTVS 3.341 Cn1c(N)nc2ncc(cc12)c3ccccc3
Canonical SMILES OpenEye OEToolkits 1.5.0 Cn1c2cc(cnc2nc1N)c3ccccc3

IUPAC InChI

InChI=1S/C13H12N4/c1-17-11-7-10(9-5-3-2-4-6-9)8-15-12(11)16-13(17)14/h2-8H,1H3,(H2,14,15,16)

IUPAC InChI key

UQVKZNNCIHJZLS-UHFFFAOYSA-N
PIQ

wwPDB Information

Atom count

29 (17 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2001-01-31

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned