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5O4 : Summary

Code

5O4

One-letter code

X

Molecule name

4-(furan-3-yl)-3-phenyl-2~{H}-pyrazolo[4,3-c]pyridine

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.4 4-(furan-3-yl)-3-phenyl-2~{H}-pyrazolo[4,3-c]pyridine

Formula

C16 H11 N3 O

Formal charge

0

Molecular weight

261.278 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 [nH]1nc2ccnc(c3cocc3)c2c1c4ccccc4
SMILES OpenEye OEToolkits 2.0.4 c1ccc(cc1)c2c3c(ccnc3c4ccoc4)n[nH]2
Canonical SMILES CACTVS 3.385 [nH]1nc2ccnc(c3cocc3)c2c1c4ccccc4
Canonical SMILES OpenEye OEToolkits 2.0.4 c1ccc(cc1)c2c3c(ccnc3c4ccoc4)n[nH]2

IUPAC InChI

InChI=1S/C16H11N3O/c1-2-4-11(5-3-1)16-14-13(18-19-16)6-8-17-15(14)12-7-9-20-10-12/h1-10H,(H,18,19)

IUPAC InChI key

DRFVQTUGIGMXRH-UHFFFAOYSA-N
5O4

wwPDB Information

Atom count

31 (20 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2015-10-29

Last modified at

2016-04-15

Status

Released

Obsoleted

Not Assigned