Chemical Components in the PDB

pdbe.org/chem
wwPDB
EMDataBank
spacer

Explore the latest updates on our new PDBe-KB ligand pages, now with PDBeChem functionality and many more features.

LHM : Summary

Code

LHM

One-letter code

X

Molecule name

N-[(4-fluorophenyl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide

Systematic names

ProgramVersionName
ACDLabs 12.01 N-[(4-fluorophenyl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
OpenEye OEToolkits 2.0.6 ~{N}-[(4-fluorophenyl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide

Formula

C15 H16 F N3 O

Formal charge

0

Molecular weight

273.305 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 N(Cc1ccc(cc1)F)C(=O)c2cnn3c2CCCC3
SMILES CACTVS 3.385 Fc1ccc(CNC(=O)c2cnn3CCCCc23)cc1
SMILES OpenEye OEToolkits 2.0.6 c1cc(ccc1CNC(=O)c2cnn3c2CCCC3)F
Canonical SMILES CACTVS 3.385 Fc1ccc(CNC(=O)c2cnn3CCCCc23)cc1
Canonical SMILES OpenEye OEToolkits 2.0.6 c1cc(ccc1CNC(=O)c2cnn3c2CCCC3)F

IUPAC InChI

InChI=1S/C15H16FN3O/c16-12-6-4-11(5-7-12)9-17-15(20)13-10-18-19-8-2-1-3-14(13)19/h4-7,10H,1-3,8-9H2,(H,17,20)

IUPAC InChI key

HVMSJMIBUMLXDJ-UHFFFAOYSA-N
LHM

wwPDB Information

Atom count

36 (20 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2019-02-22

Last modified at

2019-05-03

Status

Released

Obsoleted

Not Assigned