Chemical Components in the PDB

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1QP : Summary

Code

1QP

One-letter code

X

Molecule name

ethyl pyrazolo[1,5-a]pyridine-3-carboxylate

Systematic names

ProgramVersionName
ACDLabs 12.01 ethyl pyrazolo[1,5-a]pyridine-3-carboxylate
OpenEye OEToolkits 1.7.6 ethyl pyrazolo[1,5-a]pyridine-3-carboxylate

Formula

C10 H10 N2 O2

Formal charge

0

Molecular weight

190.199 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O=C(OCC)c1c2ccccn2nc1
SMILES CACTVS 3.370 CCOC(=O)c1cnn2ccccc12
SMILES OpenEye OEToolkits 1.7.6 CCOC(=O)c1cnn2c1cccc2
Canonical SMILES CACTVS 3.370 CCOC(=O)c1cnn2ccccc12
Canonical SMILES OpenEye OEToolkits 1.7.6 CCOC(=O)c1cnn2c1cccc2

IUPAC InChI

InChI=1S/C10H10N2O2/c1-2-14-10(13)8-7-11-12-6-4-3-5-9(8)12/h3-7H,2H2,1H3

IUPAC InChI key

IDHMFSBXNNIWCT-UHFFFAOYSA-N
1QP

wwPDB Information

Atom count

24 (14 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2013-04-29

Last modified at

2013-05-17

Status

Released

Obsoleted

Not Assigned