Chemical Components in the PDB

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15V : Summary

Code

15V

One-letter code

X

Molecule name

N-[1-(3-chlorophenyl)-3-methyl-1H-pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

Systematic names

ProgramVersionName
ACDLabs 12.01 N-[1-(3-chlorophenyl)-3-methyl-1H-pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
OpenEye OEToolkits 1.7.6 N-[2-(3-chlorophenyl)-5-methyl-pyrazol-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

Formula

C17 H13 Cl N6 O

Formal charge

0

Molecular weight

352.778 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 Clc1cccc(c1)n2nc(cc2NC(=O)c3c4ncccn4nc3)C
SMILES CACTVS 3.370 Cc1cc(NC(=O)c2cnn3cccnc23)n(n1)c4cccc(Cl)c4
SMILES OpenEye OEToolkits 1.7.6 Cc1cc(n(n1)c2cccc(c2)Cl)NC(=O)c3cnn4c3nccc4
Canonical SMILES CACTVS 3.370 Cc1cc(NC(=O)c2cnn3cccnc23)n(n1)c4cccc(Cl)c4
Canonical SMILES OpenEye OEToolkits 1.7.6 Cc1cc(n(n1)c2cccc(c2)Cl)NC(=O)c3cnn4c3nccc4

IUPAC InChI

InChI=1S/C17H13ClN6O/c1-11-8-15(24(22-11)13-5-2-4-12(18)9-13)21-17(25)14-10-20-23-7-3-6-19-16(14)23/h2-10H,1H3,(H,21,25)

IUPAC InChI key

YLBXBHSEZZNJPX-UHFFFAOYSA-N
15V

wwPDB Information

Atom count

38 (25 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2012-10-17

Last modified at

2012-10-19

Status

Released

Obsoleted

Not Assigned