Chemical Components in the PDB

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7ZM : Summary

Code

7ZM

One-letter code

X

Molecule name

N-(6-aminopyridin-3-yl)-5-hydroxy-1-phenylpyrazole-4-carboxamide

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.6 ~{N}-(6-azanylpyridin-3-yl)-5-oxidanyl-1-phenyl-pyrazole-4-carboxamide

Formula

C15 H13 N5 O2

Formal charge

0

Molecular weight

295.296 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 Nc1ccc(NC(=O)c2cnn(c2O)c3ccccc3)cn1
SMILES OpenEye OEToolkits 2.0.6 c1ccc(cc1)n2c(c(cn2)C(=O)Nc3ccc(nc3)N)O
Canonical SMILES CACTVS 3.385 Nc1ccc(NC(=O)c2cnn(c2O)c3ccccc3)cn1
Canonical SMILES OpenEye OEToolkits 2.0.6 c1ccc(cc1)n2c(c(cn2)C(=O)Nc3ccc(nc3)N)O

IUPAC InChI

InChI=1S/C15H13N5O2/c16-13-7-6-10(8-17-13)19-14(21)12-9-18-20(15(12)22)11-4-2-1-3-5-11/h1-9,22H,(H2,16,17)(H,19,21)

IUPAC InChI key

XRMPIZHDSBHDCD-UHFFFAOYSA-N
7ZM

wwPDB Information

Atom count

35 (22 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2016-12-13

Last modified at

2017-06-16

Status

Released

Obsoleted

Not Assigned