Chemical Components in the PDB

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UV5 : Summary

Code

UV5

One-letter code

X

Molecule name

3-[2,6-bis(oxidanylidene)-4-(trifluoromethyl)-5~{H}-pyrimidin-1-yl]-~{N}-methyl-2-pyridin-2-yl-imidazo[1,2-a]pyridine-7-carboxamide

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.7 3-[2,6-bis(oxidanylidene)-4-(trifluoromethyl)-5~{H}-pyrimidin-1-yl]-~{N}-methyl-2-pyridin-2-yl-imidazo[1,2-a]pyridine-7-carboxamide

Formula

C19 H13 F3 N6 O3

Formal charge

0

Molecular weight

430.34 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 CNC(=O)c1ccn2c(c1)nc(c3ccccn3)c2N4C(=O)CC(=NC4=O)C(F)(F)F
SMILES OpenEye OEToolkits 2.0.7 CNC(=O)c1ccn2c(c1)nc(c2N3C(=O)CC(=NC3=O)C(F)(F)F)c4ccccn4
Canonical SMILES CACTVS 3.385 CNC(=O)c1ccn2c(c1)nc(c3ccccn3)c2N4C(=O)CC(=NC4=O)C(F)(F)F
Canonical SMILES OpenEye OEToolkits 2.0.7 CNC(=O)c1ccn2c(c1)nc(c2N3C(=O)CC(=NC3=O)C(F)(F)F)c4ccccn4

IUPAC InChI

InChI=1S/C19H13F3N6O3/c1-23-16(30)10-5-7-27-13(8-10)26-15(11-4-2-3-6-24-11)17(27)28-14(29)9-12(19(20,21)22)25-18(28)31/h2-8H,9H2,1H3,(H,23,30)

IUPAC InChI key

QORQCYPXGXBYBR-UHFFFAOYSA-N
UV5

wwPDB Information

Atom count

44 (31 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2021-03-22

Last modified at

2022-10-28

Status

Released

Obsoleted

Not Assigned