JD7

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

Created:	2018-08-30
Last modified:	2020-06-05

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1 entries where JD7 is found as a standalone ligand

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

2D diagram of JD7

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Chemical Component Summary
Name	4-[(5S)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl]benzonitrile
Synonyms	fadrozole
Systematic Name (OpenEye OEToolkits)	4-[(5~{S})-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	C1Cc3n(C(C1)c2ccc(cc2)C#N)cnc3
SMILES	CACTVS	3.385	N#Cc1ccc(cc1)[CH]2CCCc3cncn23
SMILES	OpenEye OEToolkits	2.0.6	c1cc(ccc1C#N)C2CCCc3n2cnc3
Canonical SMILES	CACTVS	3.385	N#Cc1ccc(cc1)[C@@H]2CCCc3cncn23
Canonical SMILES	OpenEye OEToolkits	2.0.6	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-/m0/s1
InChIKey	InChI	1.03	CLPFFLWZZBQMAO-AWEZNQCLSA-N

Related Resource References

Resource Name	Reference
Pharos	CHEMBL31215
PubChem	13688212
ChEMBL	CHEMBL31215
CCDC/CSD	SORZUU, SUKNER

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