Chemical Components in the PDB

pdbe.org/chem
wwPDB
EMDataBank
spacer

BS8 : Summary

Code

BS8

One-letter code

X

Molecule name

7-(3-fluoranylpyridin-4-yl)-1~{H}-imidazo[4,5-b]pyridin-2-amine

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.6 7-(3-fluoranylpyridin-4-yl)-1~{H}-imidazo[4,5-b]pyridin-2-amine

Formula

C11 H8 F N5

Formal charge

0

Molecular weight

229.213 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 Nc1[nH]c2c(ccnc2n1)c3ccncc3F
SMILES OpenEye OEToolkits 2.0.6 c1cncc(c1c2ccnc3c2[nH]c(n3)N)F
Canonical SMILES CACTVS 3.385 Nc1[nH]c2c(ccnc2n1)c3ccncc3F
Canonical SMILES OpenEye OEToolkits 2.0.6 c1cncc(c1c2ccnc3c2[nH]c(n3)N)F

IUPAC InChI

InChI=1S/C11H8FN5/c12-8-5-14-3-1-6(8)7-2-4-15-10-9(7)16-11(13)17-10/h1-5H,(H3,13,15,16,17)

IUPAC InChI key

AYORLAGKWMLGEX-UHFFFAOYSA-N
BS8

wwPDB Information

Atom count

25 (17 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2017-10-12

Last modified at

2018-10-26

Status

Released

Obsoleted

Not Assigned