Chemical Components in the PDB

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N6J : Summary

Code

N6J

One-letter code

X

Molecule name

N-{1-[(imidazo[1,2-a]pyridin-2-yl)methyl]-1H-pyrazol-4-yl}-N'-(5-methyl-1,2-oxazol-3-yl)urea

Systematic names

ProgramVersionName
ACDLabs 12.01 N-{1-[(imidazo[1,2-a]pyridin-2-yl)methyl]-1H-pyrazol-4-yl}-N'-(5-methyl-1,2-oxazol-3-yl)urea
OpenEye OEToolkits 2.0.6 1-[1-(imidazo[1,2-a]pyridin-2-ylmethyl)pyrazol-4-yl]-3-(5-methyl-1,2-oxazol-3-yl)urea

Formula

C16 H15 N7 O2

Formal charge

0

Molecular weight

337.336 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 N(c3cnn(Cc2cn1ccccc1n2)c3)C(Nc4cc(C)on4)=O
SMILES CACTVS 3.385 Cc1onc(NC(=O)Nc2cnn(Cc3cn4ccccc4n3)c2)c1
SMILES OpenEye OEToolkits 2.0.6 Cc1cc(no1)NC(=O)Nc2cnn(c2)Cc3cn4ccccc4n3
Canonical SMILES CACTVS 3.385 Cc1onc(NC(=O)Nc2cnn(Cc3cn4ccccc4n3)c2)c1
Canonical SMILES OpenEye OEToolkits 2.0.6 Cc1cc(no1)NC(=O)Nc2cnn(c2)Cc3cn4ccccc4n3

IUPAC InChI

InChI=1S/C16H15N7O2/c1-11-6-14(21-25-11)20-16(24)19-12-7-17-23(9-12)10-13-8-22-5-3-2-4-15(22)18-13/h2-9H,10H2,1H3,(H2,19,20,21,24)

IUPAC InChI key

BKMWCTDITJZRHD-UHFFFAOYSA-N
N6J

wwPDB Information

Atom count

40 (25 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2019-05-03

Last modified at

2019-12-13

Status

Released

Obsoleted

Not Assigned