0T3

4-[(5R)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl]benzonitrile

Created:	2012-05-30
Last modified:	2021-03-01

Find Related PDB Entry
2 entries where 0T3 is found as a standalone ligand

Find related ligands:

Similar Ligands (Stereospecific) Similar Ligands (including Stereoisomers) Similar Ligands (Quick Screen) Similar Ligands (Substructure Stereospecific) Similar Ligands (Substructure including Stereoisomers)

Chemical Details
Formal Charge	0
Atom Count	30
Chiral Atom Count	1
Bond Count	32
Aromatic Bond Count	11

2D diagram of 0T3

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	4-[(5R)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl]benzonitrile
Synonyms	fadrozole
Systematic Name (OpenEye OEToolkits)	4-[(5R)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl]benzenecarbonitrile
Formula	C₁₄ H₁₃ N₃
Molecular Weight	223.273
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	N#Cc1ccc(cc1)C3n2cncc2CCC3
SMILES	CACTVS	3.370	N#Cc1ccc(cc1)[CH]2CCCc3cncn23
SMILES	OpenEye OEToolkits	1.7.6	c1cc(ccc1C#N)C2CCCc3n2cnc3
Canonical SMILES	CACTVS	3.370	N#Cc1ccc(cc1)[C@H]2CCCc3cncn23
Canonical SMILES	OpenEye OEToolkits	1.7.6	c1cc(ccc1C#N)[C@H]2CCCc3n2cnc3
InChI	InChI	1.03	InChI=1S/C14H13N3/c15-8-11-4-6-12(7-5-11)14-3-1-2-13-9-16-10-17(13)14/h4-7,9-10,14H,1-3H2/t14-/m1/s1
InChIKey	InChI	1.03	CLPFFLWZZBQMAO-CQSZACIVSA-N

Related Resource References

Resource Name	Reference
Pharos	CHEMBL287677
PubChem	9815923
ChEMBL	CHEMBL287677
CCDC/CSD	SORZUU, SUKNER

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.