Chemical Components in the PDB

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F10 : Summary

Code

F10

One-letter code

X

Molecule name

2-[2-(2-FLUOROPHENYL)PYRIDIN-4-YL]-1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2-C]PYRIDIN-4-ONE

Systematic names

ProgramVersionName
ACDLabs 10.04 2-[2-(2-fluorophenyl)pyridin-4-yl]-1,5,6,7-tetrahydro-4H-pyrrolo[3,2-c]pyridin-4-one
OpenEye OEToolkits 1.5.0 2-[2-(2-fluorophenyl)pyridin-4-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one

Formula

C18 H14 F N3 O

Formal charge

0

Molecular weight

307.322 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 Fc1ccccc1c4nccc(c3cc2C(=O)NCCc2n3)c4
SMILES CACTVS 3.341 Fc1ccccc1c2cc(ccn2)c3[nH]c4CCNC(=O)c4c3
SMILES OpenEye OEToolkits 1.5.0 c1ccc(c(c1)c2cc(ccn2)c3cc4c([nH]3)CCNC4=O)F
Canonical SMILES CACTVS 3.341 Fc1ccccc1c2cc(ccn2)c3[nH]c4CCNC(=O)c4c3
Canonical SMILES OpenEye OEToolkits 1.5.0 c1ccc(c(c1)c2cc(ccn2)c3cc4c([nH]3)CCNC4=O)F

IUPAC InChI

InChI=1S/C18H14FN3O/c19-14-4-2-1-3-12(14)17-9-11(5-7-20-17)16-10-13-15(22-16)6-8-21-18(13)23/h1-5,7,9-10,22H,6,8H2,(H,21,23)

IUPAC InChI key

XJJYJNMNYDNXNO-UHFFFAOYSA-N
F10

wwPDB Information

Atom count

37 (23 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2007-04-18

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned