Chemical Components in the PDB

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1UK : Summary

Code

1UK

One-letter code

X

Molecule name

N-{6-[6-amino-5-(trifluoromethyl)pyridin-3-yl]imidazo[1,2-a]pyridin-2-yl}acetamide

Systematic names

ProgramVersionName
ACDLabs 12.01 N-{6-[6-amino-5-(trifluoromethyl)pyridin-3-yl]imidazo[1,2-a]pyridin-2-yl}acetamide
OpenEye OEToolkits 1.7.6 N-[6-[6-azanyl-5-(trifluoromethyl)pyridin-3-yl]imidazo[1,2-a]pyridin-2-yl]ethanamide

Formula

C15 H12 F3 N5 O

Formal charge

0

Molecular weight

335.284 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 FC(F)(F)c3cc(c1ccc2nc(cn2c1)NC(=O)C)cnc3N
SMILES CACTVS 3.370 CC(=O)Nc1cn2cc(ccc2n1)c3cnc(N)c(c3)C(F)(F)F
SMILES OpenEye OEToolkits 1.7.6 CC(=O)Nc1cn2cc(ccc2n1)c3cc(c(nc3)N)C(F)(F)F
Canonical SMILES CACTVS 3.370 CC(=O)Nc1cn2cc(ccc2n1)c3cnc(N)c(c3)C(F)(F)F
Canonical SMILES OpenEye OEToolkits 1.7.6 CC(=O)Nc1cn2cc(ccc2n1)c3cc(c(nc3)N)C(F)(F)F

IUPAC InChI

InChI=1S/C15H12F3N5O/c1-8(24)21-12-7-23-6-9(2-3-13(23)22-12)10-4-11(15(16,17)18)14(19)20-5-10/h2-7H,1H3,(H2,19,20)(H,21,24)

IUPAC InChI key

TVUPSIBSWDXJGQ-UHFFFAOYSA-N
1UK

wwPDB Information

Atom count

36 (24 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2013-06-07

Last modified at

2013-07-12

Status

Released

Obsoleted

Not Assigned