Chemical Components in the PDB

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OHK : Summary

Code

OHK

One-letter code

X

Molecule name

~{N}-(oxan-4-ylmethyl)-6-(5-propan-2-yloxypyridin-3-yl)imidazo[1,5-a]pyridine-3-carboxamide

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.7 ~{N}-(oxan-4-ylmethyl)-6-(5-propan-2-yloxypyridin-3-yl)imidazo[1,5-a]pyridine-3-carboxamide

Formula

C22 H26 N4 O3

Formal charge

0

Molecular weight

394.467 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 CC(C)Oc1cncc(c1)c2ccc3cnc(n3c2)C(=O)NCC4CCOCC4
SMILES OpenEye OEToolkits 2.0.7 CC(C)Oc1cc(cnc1)c2ccc3cnc(n3c2)C(=O)NCC4CCOCC4
Canonical SMILES CACTVS 3.385 CC(C)Oc1cncc(c1)c2ccc3cnc(n3c2)C(=O)NCC4CCOCC4
Canonical SMILES OpenEye OEToolkits 2.0.7 CC(C)Oc1cc(cnc1)c2ccc3cnc(n3c2)C(=O)NCC4CCOCC4

IUPAC InChI

InChI=1S/C22H26N4O3/c1-15(2)29-20-9-18(11-23-13-20)17-3-4-19-12-24-21(26(19)14-17)22(27)25-10-16-5-7-28-8-6-16/h3-4,9,11-16H,5-8,10H2,1-2H3,(H,25,27)

IUPAC InChI key

HHJCFPYPXNXIIT-UHFFFAOYSA-N
OHK

wwPDB Information

Atom count

55 (29 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2020-03-11

Last modified at

2020-05-15

Status

Released

Obsoleted

Not Assigned