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YVQ : Summary

Code

YVQ

One-letter code

X

Molecule name

3-(1H-INDOL-3-YL)-6-(1H-PYRAZOL-4-YL)IMIDAZO[1,2-A]PYRAZINE

Systematic names

ProgramVersionName
ACDLabs 10.04 3-(1H-indol-3-yl)-6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazine
OpenEye OEToolkits 1.6.1 3-(1H-indol-3-yl)-6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazine

Formula

C17 H12 N6

Formal charge

0

Molecular weight

300.317 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 n1ncc(c1)c4ncc5ncc(c3c2ccccc2nc3)n5c4
SMILES CACTVS 3.352 [nH]1cc(cn1)c2cn3c(cn2)ncc3c4c[nH]c5ccccc45
SMILES OpenEye OEToolkits 1.6.1 c1ccc2c(c1)c(c[nH]2)c3cnc4n3cc(nc4)c5c[nH]nc5
Canonical SMILES CACTVS 3.352 [nH]1cc(cn1)c2cn3c(cn2)ncc3c4c[nH]c5ccccc45
Canonical SMILES OpenEye OEToolkits 1.6.1 c1ccc2c(c1)c(c[nH]2)c3cnc4n3cc(nc4)c5c[nH]nc5

IUPAC InChI

InChI=1S/C17H12N6/c1-2-4-14-12(3-1)13(7-18-14)16-8-20-17-9-19-15(10-23(16)17)11-5-21-22-6-11/h1-10,18H,(H,21,22)

IUPAC InChI key

ZCWUDZOATSSBCE-UHFFFAOYSA-N
YVQ

wwPDB Information

Atom count

35 (23 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2010-05-19

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned